5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide

C10H7Cl2NO4S3 — CID 76852477

IUPAC5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C10H7Cl2NO4S3/c11-7-2-1-6(5-8(7)12)19(14,15)9-3-4-10(18-9)20(13,16)17/h1-5H,(H2,13,16,17)
InChIKeyQLVOFYNWIYTSFS-UHFFFAOYSA-N
MW372.28 g/mol
LogP2.54
Rot. Bonds3

About 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide

5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 76852477) has the molecular formula C10H7Cl2NO4S3 and a molecular weight of 372.28 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide
PubChem CID76852477
Molecular FormulaC10H7Cl2NO4S3
Molecular Weight372.28 g/mol
Exact Mass370.89
IUPAC Name5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1
InChIInChI=1S/C10H7Cl2NO4S3/c11-7-2-1-6(5-8(7)12)19(14,15)9-3-4-10(18-9)20(13,16)17/h1-5H,(H2,13,16,17)
InChIKeyQLVOFYNWIYTSFS-UHFFFAOYSA-N
XLogP2.54
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide (CID 76852477) is 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)s1.
What is the InChIKey of 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is QLVOFYNWIYTSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO4S3/c11-7-2-1-6(5-8(7)12)19(14,15)9-3-4-10(18-9)20(13,16)17/h1-5H,(H2,13,16,17).
What are the key properties of 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide?
5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 372.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 76852477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).