2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide

C13H13Cl2NO2S2 — CID 3755115

IUPAC2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H13Cl2NO2S2/c1-8-3-5-10(6-4-8)9(2)16-20(17,18)11-7-12(14)19-13(11)15/h3-7,9,16H,1-2H3
InChIKeySFWGPGHCKDETQE-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.40
Rot. Bonds4

About 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide

2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide (PubChem CID 3755115) has the molecular formula C13H13Cl2NO2S2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide
PubChem CID3755115
Molecular FormulaC13H13Cl2NO2S2
Molecular Weight350.29 g/mol
Exact Mass348.98
IUPAC Name2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide
SMILESCc1ccc(C(C)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1
InChIInChI=1S/C13H13Cl2NO2S2/c1-8-3-5-10(6-4-8)9(2)16-20(17,18)11-7-12(14)19-13(11)15/h3-7,9,16H,1-2H3
InChIKeySFWGPGHCKDETQE-UHFFFAOYSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide (CID 3755115) is 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide is Cc1ccc(C(C)NS(=O)(=O)c2cc(Cl)sc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide?
The InChIKey is SFWGPGHCKDETQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2S2/c1-8-3-5-10(6-4-8)9(2)16-20(17,18)11-7-12(14)19-13(11)15/h3-7,9,16H,1-2H3.
What are the key properties of 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide?
2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide has a molecular weight of 350.29 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[1-(4-methylphenyl)ethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 3755115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).