2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide

C11H9Cl2NO2S3 — CID 3819677

IUPAC2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NO2S3/c1-17-8-5-3-2-4-7(8)14-19(15,16)9-6-10(12)18-11(9)13/h2-6,14H,1H3
InChIKeyUFBBVHPNLQIOEM-UHFFFAOYSA-N
MW354.31 g/mol
LogP4.58
Rot. Bonds4

About 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide

2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide (PubChem CID 3819677) has the molecular formula C11H9Cl2NO2S3 and a molecular weight of 354.31 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide
PubChem CID3819677
Molecular FormulaC11H9Cl2NO2S3
Molecular Weight354.31 g/mol
Exact Mass352.92
IUPAC Name2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide
SMILESCSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H9Cl2NO2S3/c1-17-8-5-3-2-4-7(8)14-19(15,16)9-6-10(12)18-11(9)13/h2-6,14H,1H3
InChIKeyUFBBVHPNLQIOEM-UHFFFAOYSA-N
XLogP4.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide (CID 3819677) is 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide is CSc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide?
The InChIKey is UFBBVHPNLQIOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2S3/c1-17-8-5-3-2-4-7(8)14-19(15,16)9-6-10(12)18-11(9)13/h2-6,14H,1H3.
What are the key properties of 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide has a molecular weight of 354.31 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylsulfanylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 3819677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).