5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide

C11H10ClNO4S3 — CID 76852484

IUPAC5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO4S3/c1-7-6-10(20(13,16)17)18-11(7)19(14,15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,16,17)
InChIKeyPTKBZZGXJMQYOT-UHFFFAOYSA-N
MW351.86 g/mol
LogP2.19
Rot. Bonds3

About 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide

5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide (PubChem CID 76852484) has the molecular formula C11H10ClNO4S3 and a molecular weight of 351.86 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide
PubChem CID76852484
Molecular FormulaC11H10ClNO4S3
Molecular Weight351.86 g/mol
Exact Mass350.95
IUPAC Name5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide
SMILESCc1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO4S3/c1-7-6-10(20(13,16)17)18-11(7)19(14,15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,16,17)
InChIKeyPTKBZZGXJMQYOT-UHFFFAOYSA-N
XLogP2.19
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide (CID 76852484) is 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide is Cc1cc(S(N)(=O)=O)sc1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide?
The InChIKey is PTKBZZGXJMQYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO4S3/c1-7-6-10(20(13,16)17)18-11(7)19(14,15)9-4-2-8(12)3-5-9/h2-6H,1H3,(H2,13,16,17).
What are the key properties of 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide?
5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide has a molecular weight of 351.86 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfonyl-4-methylthiophene-2-sulfonamide is sourced from PubChem (CID 76852484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).