5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide

C15H12ClNO2S3 — CID 71809983

IUPAC5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1-c1ccsc1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO2S3/c16-14-5-6-15(21-14)22(18,19)17-9-11-3-1-2-4-13(11)12-7-8-20-10-12/h1-8,10,17H,9H2
InChIKeyGVXCWSFXODFNIV-UHFFFAOYSA-N
MW369.92 g/mol
LogP4.61
Rot. Bonds5

About 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide

5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide (PubChem CID 71809983) has the molecular formula C15H12ClNO2S3 and a molecular weight of 369.92 g/mol. Its IUPAC name is 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide
PubChem CID71809983
Molecular FormulaC15H12ClNO2S3
Molecular Weight369.92 g/mol
Exact Mass368.97
IUPAC Name5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCc1ccccc1-c1ccsc1)c1ccc(Cl)s1
InChIInChI=1S/C15H12ClNO2S3/c16-14-5-6-15(21-14)22(18,19)17-9-11-3-1-2-4-13(11)12-7-8-20-10-12/h1-8,10,17H,9H2
InChIKeyGVXCWSFXODFNIV-UHFFFAOYSA-N
XLogP4.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide (CID 71809983) is 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide is O=S(=O)(NCc1ccccc1-c1ccsc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide?
The InChIKey is GVXCWSFXODFNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO2S3/c16-14-5-6-15(21-14)22(18,19)17-9-11-3-1-2-4-13(11)12-7-8-20-10-12/h1-8,10,17H,9H2.
What are the key properties of 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide?
5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide has a molecular weight of 369.92 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2-thiophen-3-ylphenyl)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 71809983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).