4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide

C22H17NO2S2 — CID 10237527

IUPAC4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscc1-c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17NO2S2/c24-27(25,20-13-11-18(12-14-20)17-7-3-1-4-8-17)23-22-16-26-15-21(22)19-9-5-2-6-10-19/h1-16,23H
InChIKeyKXQUZPBQSFRFDQ-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.88
Rot. Bonds5

About 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide

4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide (PubChem CID 10237527) has the molecular formula C22H17NO2S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide
PubChem CID10237527
Molecular FormulaC22H17NO2S2
Molecular Weight391.52 g/mol
Exact Mass391.07
IUPAC Name4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cscc1-c1ccccc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17NO2S2/c24-27(25,20-13-11-18(12-14-20)17-7-3-1-4-8-17)23-22-16-26-15-21(22)19-9-5-2-6-10-19/h1-16,23H
InChIKeyKXQUZPBQSFRFDQ-UHFFFAOYSA-N
XLogP5.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
N-ethyl-N-methyl-2-[4-[(4-phenylphenyl)sulfonylamino]thiophen-3-yl]acetamide
CID 10173201
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)thiophen-3-yl]-4-phenylbenzenesulfonamide
CID 10151681
4-(benzenesulfonamido)thiophene-3-carboxylic acid
CID 70120734
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-phenyl-N-(5-phenyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 153381057
N-(5-bromo-2-methylphenyl)-4-phenylbenzenesulfonamide
CID 4677884
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-phenylphenyl)benzenesulfonamide
CID 100540065
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide?
The IUPAC name of 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide (CID 10237527) is 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide?
The canonical SMILES for 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide is O=S(=O)(Nc1cscc1-c1ccccc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide?
The InChIKey is KXQUZPBQSFRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2S2/c24-27(25,20-13-11-18(12-14-20)17-7-3-1-4-8-17)23-22-16-26-15-21(22)19-9-5-2-6-10-19/h1-16,23H.
What are the key properties of 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide?
4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide has a molecular weight of 391.52 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(4-phenylthiophen-3-yl)benzenesulfonamide is sourced from PubChem (CID 10237527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).