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

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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).