5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide

C17H15NO2S3 — CID 134147656

IUPAC5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C17H15NO2S3/c18-23(19,20)17-10-9-16(22-17)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-11H,12H2,(H2,18,19,20)
InChIKeyCWDPZVCRDBASOZ-UHFFFAOYSA-N
MW361.51 g/mol
LogP4.35
Rot. Bonds5

About 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide

5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide (PubChem CID 134147656) has the molecular formula C17H15NO2S3 and a molecular weight of 361.51 g/mol. Its IUPAC name is 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
PubChem CID134147656
Molecular FormulaC17H15NO2S3
Molecular Weight361.51 g/mol
Exact Mass361.03
IUPAC Name5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2cccc(-c3ccccc3)c2)s1
InChIInChI=1S/C17H15NO2S3/c18-23(19,20)17-10-9-16(22-17)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-11H,12H2,(H2,18,19,20)
InChIKeyCWDPZVCRDBASOZ-UHFFFAOYSA-N
XLogP4.35
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3-phenylphenyl)methylsulfanyl]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

(E)-4-(2-(thiophen-3-yl)vinyl)benzenesulfonamide
CID 50908699
2-(4-Fluorophenyl)-3-(4-methylsulfonylphenyl)thiophene
CID 10336873
(E)-4-(2-(thiophen-2-yl)vinyl)benzenesulfonamide
CID 50908697
5-[[4-(Trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide
CID 132819874
4-[(4-Methylphenyl)sulfonyl]-2-thiophenesulfonamide
CID 14642289
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
N-[2-[2-[4-(2-phenylethylsulfanylmethyl)phenyl]phenyl]ethylsulfonyl]thiophene-2-sulfonamide
CID 44320294
5-[(4-Methylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819873
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
5-[(2-Phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134151324
5-(Naphthalen-2-ylmethylsulfanyl)thiophene-2-sulfonamide
CID 134152694
1-Benzothiophene-3-sulfonamide
CID 13178324

Frequently Asked Questions

What is the IUPAC name of 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide (CID 134147656) is 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(SCc2cccc(-c3ccccc3)c2)s1.
What is the InChIKey of 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide?
The InChIKey is CWDPZVCRDBASOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2S3/c18-23(19,20)17-10-9-16(22-17)21-12-13-5-4-8-15(11-13)14-6-2-1-3-7-14/h1-11H,12H2,(H2,18,19,20).
What are the key properties of 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide?
5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide has a molecular weight of 361.51 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 134147656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).