5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide

C10H7ClN2O4S3 — CID 2822606

IUPAC5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H7ClN2O4S3/c11-6-1-3-7(4-2-6)18-10-8(13(14)15)5-9(19-10)20(12,16)17/h1-5H,(H2,12,16,17)
InChIKeyNXARIBQKJYAZMG-UHFFFAOYSA-N
MW350.83 g/mol
LogP3.11
Rot. Bonds4

About 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide

5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide (PubChem CID 2822606) has the molecular formula C10H7ClN2O4S3 and a molecular weight of 350.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide
PubChem CID2822606
Molecular FormulaC10H7ClN2O4S3
Molecular Weight350.83 g/mol
Exact Mass349.93
IUPAC Name5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)s1
InChIInChI=1S/C10H7ClN2O4S3/c11-6-1-3-7(4-2-6)18-10-8(13(14)15)5-9(19-10)20(12,16)17/h1-5H,(H2,12,16,17)
InChIKeyNXARIBQKJYAZMG-UHFFFAOYSA-N
XLogP3.11
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide (CID 2822606) is 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)s1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide?
The InChIKey is NXARIBQKJYAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O4S3/c11-6-1-3-7(4-2-6)18-10-8(13(14)15)5-9(19-10)20(12,16)17/h1-5H,(H2,12,16,17).
What are the key properties of 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide?
5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide has a molecular weight of 350.83 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide is sourced from PubChem (CID 2822606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).