5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide

C10H8ClNO3S3 — CID 12736875

IUPAC5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClNO3S3/c11-7-1-3-8(4-2-7)17(13)9-5-6-10(16-9)18(12,14)15/h1-6H,(H2,12,14,15)
InChIKeyGGPFCSLPXIZUAU-UHFFFAOYSA-N
MW321.83 g/mol
LogP2.22
Rot. Bonds3

About 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide

5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide (PubChem CID 12736875) has the molecular formula C10H8ClNO3S3 and a molecular weight of 321.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide
PubChem CID12736875
Molecular FormulaC10H8ClNO3S3
Molecular Weight321.83 g/mol
Exact Mass320.94
IUPAC Name5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C10H8ClNO3S3/c11-7-1-3-8(4-2-7)17(13)9-5-6-10(16-9)18(12,14)15/h1-6H,(H2,12,14,15)
InChIKeyGGPFCSLPXIZUAU-UHFFFAOYSA-N
XLogP2.22
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide (CID 12736875) is 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide is NS(=O)(=O)c1ccc(S(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide?
The InChIKey is GGPFCSLPXIZUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S3/c11-7-1-3-8(4-2-7)17(13)9-5-6-10(16-9)18(12,14)15/h1-6H,(H2,12,14,15).
What are the key properties of 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide?
5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide has a molecular weight of 321.83 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfinylthiophene-2-sulfonamide is sourced from PubChem (CID 12736875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).