N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide

C17H15NO2S3 — CID 126346342

IUPACN-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C17H15NO2S3/c19-23(20,17-7-4-12-21-17)18-15-10-8-14(9-11-15)13-22-16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeySFHAUYIXWYEMLH-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.84
Rot. Bonds6

About N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide

N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 126346342) has the molecular formula C17H15NO2S3 and a molecular weight of 361.51 g/mol. Its IUPAC name is N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
PubChem CID126346342
Molecular FormulaC17H15NO2S3
Molecular Weight361.51 g/mol
Exact Mass361.03
IUPAC NameN-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1cccs1
InChIInChI=1S/C17H15NO2S3/c19-23(20,17-7-4-12-21-17)18-15-10-8-14(9-11-15)13-22-16-5-2-1-3-6-16/h1-12,18H,13H2
InChIKeySFHAUYIXWYEMLH-UHFFFAOYSA-N
XLogP4.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(2-fluorophenyl)methylsulfanyl]phenyl]thiophene-2-sulfonamide
CID 19629447
N-[4-(3-phenylpropylamino)phenyl]thiophene-2-sulfonamide
CID 112984772
N-[4-[benzyl(methyl)amino]phenyl]thiophene-2-sulfonamide
CID 112982346
N-[4-(N-methylanilino)phenyl]thiophene-2-sulfonamide
CID 112986152
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
N-[4-(3-aminoprop-1-ynyl)phenyl]thiophene-2-sulfonamide
CID 60814116
N-(4-phenyl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23098780
3-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119221285
4-[[2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetyl]amino]butanoic acid
CID 119170907
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090
N-(4-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 39154419

Frequently Asked Questions

What is the IUPAC name of N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide (CID 126346342) is N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1cccs1.
What is the InChIKey of N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is SFHAUYIXWYEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S3/c19-23(20,17-7-4-12-21-17)18-15-10-8-14(9-11-15)13-22-16-5-2-1-3-6-16/h1-12,18H,13H2.
What are the key properties of N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide?
N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(phenylsulfanylmethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 126346342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).