4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide

C21H16ClNO3S — CID 54771213

IUPAC4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
SMILESCc1ccc2oc(-c3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C21H16ClNO3S/c1-14-7-12-19-18(13-14)20(21(26-19)15-5-3-2-4-6-15)23-27(24,25)17-10-8-16(22)9-11-17/h2-13,23H,1H3
InChIKeyUKMCSBIBOJMXGM-UHFFFAOYSA-N
MW397.88 g/mol
LogP5.86
Rot. Bonds4

About 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide

4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide (PubChem CID 54771213) has the molecular formula C21H16ClNO3S and a molecular weight of 397.88 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
PubChem CID54771213
Molecular FormulaC21H16ClNO3S
Molecular Weight397.88 g/mol
Exact Mass397.05
IUPAC Name4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide
SMILESCc1ccc2oc(-c3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C21H16ClNO3S/c1-14-7-12-19-18(13-14)20(21(26-19)15-5-3-2-4-6-15)23-27(24,25)17-10-8-16(22)9-11-17/h2-13,23H,1H3
InChIKeyUKMCSBIBOJMXGM-UHFFFAOYSA-N
XLogP5.86
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.88
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide (CID 54771213) is 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide is Cc1ccc2oc(-c3ccccc3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
The InChIKey is UKMCSBIBOJMXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClNO3S/c1-14-7-12-19-18(13-14)20(21(26-19)15-5-3-2-4-6-15)23-27(24,25)17-10-8-16(22)9-11-17/h2-13,23H,1H3.
What are the key properties of 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide?
4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide has a molecular weight of 397.88 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-2-phenyl-1-benzofuran-3-yl)benzenesulfonamide is sourced from PubChem (CID 54771213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).