4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide

C12H9Cl2NO2S2 — CID 150126436

IUPAC4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide
SMILESO=S(=O)(NSc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2NO2S2/c13-9-1-5-11(6-2-9)18-15-19(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyFAHZRNXXOUEUMF-UHFFFAOYSA-N
MW334.25 g/mol
LogP3.98
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide

4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide (PubChem CID 150126436) has the molecular formula C12H9Cl2NO2S2 and a molecular weight of 334.25 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide
PubChem CID150126436
Molecular FormulaC12H9Cl2NO2S2
Molecular Weight334.25 g/mol
Exact Mass332.95
IUPAC Name4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide
SMILESO=S(=O)(NSc1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2NO2S2/c13-9-1-5-11(6-2-9)18-15-19(16,17)12-7-3-10(14)4-8-12/h1-8,15H
InChIKeyFAHZRNXXOUEUMF-UHFFFAOYSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
potassium;4-chloro-N-methylbenzenesulfonamide;hydride
CID 173400421
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
4-chloro-N-(chloromethylsulfonyl)benzenesulfonamide
CID 124927199
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
[(4-chlorophenyl)sulfonylamino]-dimethylazanium chloride
CID 18531761
4-chloro-N-[(4-methylsulfanylphenyl)methylideneamino]benzenesulfonamide
CID 3594304
4-chloro-N-[(1R,2R)-2-(4-fluorophenyl)sulfanylcyclohexyl]benzenesulfonamide
CID 2198514
4-chloro-N-prop-2-ynoxybenzenesulfonamide
CID 167841296
4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide
CID 11752168
4-chloro-N-(2-phenylsulfanylphenyl)benzenesulfonamide
CID 2211474
N-[2-(4-chlorophenyl)sulfanylphenyl]-4-methylbenzenesulfonamide
CID 22202175

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide (CID 150126436) is 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide is O=S(=O)(NSc1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide?
The InChIKey is FAHZRNXXOUEUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO2S2/c13-9-1-5-11(6-2-9)18-15-19(16,17)12-7-3-10(14)4-8-12/h1-8,15H.
What are the key properties of 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide?
4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide has a molecular weight of 334.25 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)sulfanylbenzenesulfonamide is sourced from PubChem (CID 150126436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).