2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide

C11H8Cl2FNO2S2 — CID 17447221

IUPAC2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8Cl2FNO2S2/c1-6-2-3-7(14)4-8(6)15-19(16,17)9-5-10(12)18-11(9)13/h2-5,15H,1H3
InChIKeyKYTCWRRORYFYLG-UHFFFAOYSA-N
MW340.23 g/mol
LogP4.30
Rot. Bonds3

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

2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide (PubChem CID 17447221) has the molecular formula C11H8Cl2FNO2S2 and a molecular weight of 340.23 g/mol. Its IUPAC name is 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
PubChem CID17447221
Molecular FormulaC11H8Cl2FNO2S2
Molecular Weight340.23 g/mol
Exact Mass338.94
IUPAC Name2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H8Cl2FNO2S2/c1-6-2-3-7(14)4-8(6)15-19(16,17)9-5-10(12)18-11(9)13/h2-5,15H,1H3
InChIKeyKYTCWRRORYFYLG-UHFFFAOYSA-N
XLogP4.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.23
LogP ≤ 54.30
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-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide (CID 17447221) is 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
The InChIKey is KYTCWRRORYFYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FNO2S2/c1-6-2-3-7(14)4-8(6)15-19(16,17)9-5-10(12)18-11(9)13/h2-5,15H,1H3.
What are the key properties of 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide?
2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide has a molecular weight of 340.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(5-fluoro-2-methylphenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 17447221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).