AC1LLKTG
2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
Also Known As: Oprea1_114407|Oprea1_652759|BAS 00024319|2-{[(4-methylphenyl)sulfonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|2-(4-METHYLBENZENESULFONAMIDO)-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLIC ACID|AH-357/03344017|SR-01000454828-1|2-((4-Methylphenyl)sulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid|2-tosylamino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid|2-(p-tolylsulfonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid|2-(4-methylphenylsulfonamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid
| Molecular Formula | C16H17NO4S2 |
|---|---|
| Molecular Weight | 351.0599 g/mol |
| LogP | 3.43432 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.0599 |
| Monoisotopic Mass | 351.0599 |
| Heavy Atoms | 23 |
| Complexity | 850.95056 |
Chemical Identifiers
| CAS Number | 63183-30-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C3=C(S2)CCCC3)C(=O)O |
Product Overview
AC1LLKTG (CAS 63183-30-2), with molecular formula C16H17NO4S2 and molecular weight 351.0599 g/mol. IUPAC: 2-[(4-methylphenyl)sulfonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid.