Compound C32H46N2O5S

5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid

CAS: 4971-48-6

Molecular Formula	`C32H46N2O5S`
Molecular Weight	570.8 g/mol
LogP	10.0
Topological Polar Surface Area	105.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	20
Exact Mass	570.31274
Heavy Atoms	40
Complexity	850.0

Chemical Identifiers

CAS Number	4971-48-6
SMILES	`CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O`
InChIKey	`NUVIBPSQTHIMKV-UHFFFAOYSA-N`

📖 Product Overview

Compound C32H46N2O5S (CAS: 4971-48-6) is a chemical compound with molecular formula C32H46N2O5S and molecular weight 570.8 g/mol. Its IUPAC systematic name is 5-(3-heptadecyl-5-oxo-4H-pyrazol-1-yl)-2-phenoxybenzenesulfonic acid. LogP 10.0 Topological Polar Surface Area 105.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 20 Exact Mass 570.31274 Heavy Atoms 40 Complexity 850.0 InChI Key: NUVIBPSQTHIMKV-UHFFFAOYSA-N. SMILES: CCCCCCCCCCCCCCCCCC1=NN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)O.

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