Compound C13H16ClN3O5S2

4-chloro-6-(3-oxobut-1-enylamino)-1-N-prop-2-enylbenzene-1,3-disulfonamide

CAS: 3754-19-6

Molecular Formula	`C13H16ClN3O5S2`
Molecular Weight	393.9 g/mol
LogP	1.1
Topological Polar Surface Area	152.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	8
Exact Mass	393.022
Heavy Atoms	24
Complexity	694.0

Chemical Identifiers

CAS Number	3754-19-6
SMILES	`CC(=O)C=CNC1=CC(=C(C=C1S(=O)(=O)NCC=C)S(=O)(=O)N)Cl`
InChIKey	`LTSOENFXCPOCHG-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H16ClN3O5S2 (CAS: 3754-19-6) is a chemical compound with molecular formula C13H16ClN3O5S2 and molecular weight 393.9 g/mol. Its IUPAC systematic name is 4-chloro-6-(3-oxobut-1-enylamino)-1-N-prop-2-enylbenzene-1,3-disulfonamide. LogP 1.1 Topological Polar Surface Area 152.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 8 Rotatable Bonds 8 Exact Mass 393.022 Heavy Atoms 24 Complexity 694.0 InChI Key: LTSOENFXCPOCHG-UHFFFAOYSA-N. SMILES: CC(=O)C=CNC1=CC(=C(C=C1S(=O)(=O)NCC=C)S(=O)(=O)N)Cl.

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