5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide

C12H12ClNO4S2 — CID 894168

IUPAC5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC
InChIInChI=1S/C12H12ClNO4S2/c1-17-9-4-3-8(7-10(9)18-2)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3
InChIKeyHEQILIHBMVATFY-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.22
Rot. Bonds5

About 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide

5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 894168) has the molecular formula C12H12ClNO4S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide
PubChem CID894168
Molecular FormulaC12H12ClNO4S2
Molecular Weight333.82 g/mol
Exact Mass332.99
IUPAC Name5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC
InChIInChI=1S/C12H12ClNO4S2/c1-17-9-4-3-8(7-10(9)18-2)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3
InChIKeyHEQILIHBMVATFY-UHFFFAOYSA-N
XLogP3.22
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-thiophenesulfonamide
CID 713129
5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
CID 843845
N-(3-methoxyphenyl)-2,5-dimethylthiophene-3-sulfonamide
CID 1263332
Thiophene-2-sulfonic acid benzo[1,3]dioxol-5-ylamide
CID 651313
5-bromo-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide
CID 1296567
N-(1,3-benzodioxol-5-yl)-4-chlorobenzenesulfonamide
CID 676050
5-chloro-N-[4-(difluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 8087529
5-chloro-N-(2-methoxyphenyl)thiophene-2-sulfonamide
CID 707591
N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 765865
2,5-dichloro-N-(3,4-dimethoxyphenyl)benzenesulfonamide
CID 1319972
4-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 2811092
N-(4,5-dimethoxy-2-methylphenyl)thiophene-2-sulfonamide
CID 8188977

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide (CID 894168) is 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide is COc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1OC.
What is the InChIKey of 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is HEQILIHBMVATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S2/c1-17-9-4-3-8(7-10(9)18-2)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3.
What are the key properties of 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide?
5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide has a molecular weight of 333.82 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 894168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).