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

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Related Compounds

5-chloro-N-[1-(4-fluorophenyl)cyclopropyl]thiophene-2-sulfonamide
CID 16674138
methyl 1-[(5-chlorothiophen-2-yl)sulfonylamino]cyclohexane-1-carboxylate
CID 31854379
N-[1-(4-chlorophenyl)cyclopropyl]-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 113091091
5-chloro-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)thiophene-2-sulfonamide
CID 5217515
2-chloro-N-[[1-(3,4-dimethoxyphenyl)cyclopropyl]methyl]benzenesulfonamide
CID 113090921
5-chloro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]thiophene-2-sulfonamide
CID 8519502
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-2,5-dimethoxybenzenesulfonamide
CID 113091335
5-chloro-N-(3,3-dimethylcyclopentyl)thiophene-2-sulfonamide
CID 115881167
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
methyl N-[(5-chlorothiophen-2-yl)sulfonylamino]carbamate
CID 8501031
(2S)-1-(5-chlorothiophen-2-yl)sulfonyl-N-(3,4-dimethoxyphenyl)pyrrolidine-2-carboxamide
CID 51648877
5-chloro-N-[4-(3-methoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987490

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).