5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide

C15H16ClNO4S2 — CID 113091457

IUPAC5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide
SMILESCOc1ccc(C2(NS(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC
InChIInChI=1S/C15H16ClNO4S2/c1-20-11-4-3-10(9-12(11)21-2)15(7-8-15)17-23(18,19)14-6-5-13(16)22-14/h3-6,9,17H,7-8H2,1-2H3
InChIKeyCSEJRPKPOFUGOM-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.39
Rot. Bonds6

About 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide

5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide (PubChem CID 113091457) has the molecular formula C15H16ClNO4S2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide
PubChem CID113091457
Molecular FormulaC15H16ClNO4S2
Molecular Weight373.88 g/mol
Exact Mass373.02
IUPAC Name5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide
SMILESCOc1ccc(C2(NS(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC
InChIInChI=1S/C15H16ClNO4S2/c1-20-11-4-3-10(9-12(11)21-2)15(7-8-15)17-23(18,19)14-6-5-13(16)22-14/h3-6,9,17H,7-8H2,1-2H3
InChIKeyCSEJRPKPOFUGOM-UHFFFAOYSA-N
XLogP3.39
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide (CID 113091457) is 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide is COc1ccc(C2(NS(=O)(=O)c3ccc(Cl)s3)CC2)cc1OC.
What is the InChIKey of 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide?
The InChIKey is CSEJRPKPOFUGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S2/c1-20-11-4-3-10(9-12(11)21-2)15(7-8-15)17-23(18,19)14-6-5-13(16)22-14/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide?
5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide has a molecular weight of 373.88 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(3,4-dimethoxyphenyl)cyclopropyl]thiophene-2-sulfonamide is sourced from PubChem (CID 113091457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).