4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide

C17H15NO3S2 — CID 67283407

IUPAC4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H15NO3S2/c1-12-2-3-13(14-8-9-22-11-14)10-17(12)18-23(20,21)16-6-4-15(19)5-7-16/h2-11,18-19H,1H3
InChIKeyWZUWXAXTRJWNIK-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.23
Rot. Bonds4

About 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide

4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide (PubChem CID 67283407) has the molecular formula C17H15NO3S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide
PubChem CID67283407
Molecular FormulaC17H15NO3S2
Molecular Weight345.45 g/mol
Exact Mass345.05
IUPAC Name4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide
SMILESCc1ccc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C17H15NO3S2/c1-12-2-3-13(14-8-9-22-11-14)10-17(12)18-23(20,21)16-6-4-15(19)5-7-16/h2-11,18-19H,1H3
InChIKeyWZUWXAXTRJWNIK-UHFFFAOYSA-N
XLogP4.23
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide (CID 67283407) is 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide is Cc1ccc(-c2ccsc2)cc1NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide?
The InChIKey is WZUWXAXTRJWNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S2/c1-12-2-3-13(14-8-9-22-11-14)10-17(12)18-23(20,21)16-6-4-15(19)5-7-16/h2-11,18-19H,1H3.
What are the key properties of 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide?
4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide has a molecular weight of 345.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methyl-5-thiophen-3-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 67283407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).