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

C12H12ClNO4S2 — CID 843845

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

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

5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide (PubChem CID 843845) has the molecular formula C12H12ClNO4S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
PubChem CID843845
Molecular FormulaC12H12ClNO4S2
Molecular Weight333.82 g/mol
Exact Mass332.99
IUPAC Name5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)s2)c1
InChIInChI=1S/C12H12ClNO4S2/c1-17-8-3-4-10(18-2)9(7-8)14-20(15,16)12-6-5-11(13)19-12/h3-7,14H,1-2H3
InChIKeyHGWOPGDYUZYMRH-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide (CID 843845) is 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)s2)c1.
What is the InChIKey of 5-chloro-N-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
The InChIKey is HGWOPGDYUZYMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO4S2/c1-17-8-3-4-10(18-2)9(7-8)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-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide?
5-chloro-N-(2,5-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-(2,5-dimethoxyphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 843845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).