4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide

C12H8Cl2N2O4S — CID 2796797

IUPAC4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-1-4-10(5-2-8)21(19,20)15-12-6-3-9(16(17)18)7-11(12)14/h1-7,15H
InChIKeySIOAHXULQUZTFV-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.70
Rot. Bonds4

About 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide

4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide (PubChem CID 2796797) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
PubChem CID2796797
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-1-4-10(5-2-8)21(19,20)15-12-6-3-9(16(17)18)7-11(12)14/h1-7,15H
InChIKeySIOAHXULQUZTFV-UHFFFAOYSA-N
XLogP3.70
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.18
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Related Compounds

N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
N-(2-chloro-4-nitrophenyl)propane-1-sulfonamide
CID 60641413
N,2-dichloro-4-nitroaniline
CID 57242965
N-(2,4-dichlorophenyl)-4-methylsulfonylbenzenesulfonamide
CID 46534846
N-(2-methoxy-4-nitrophenyl)-4-nitrobenzenesulfonamide
CID 3300221
4-chloro-N-(2-chloro-4-methoxyphenyl)benzenesulfonamide
CID 4994976
4-tert-butyl-N-(2-fluoro-5-nitrophenyl)benzenesulfonamide
CID 22774500
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide (CID 2796797) is 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide?
The InChIKey is SIOAHXULQUZTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-8-1-4-10(5-2-8)21(19,20)15-12-6-3-9(16(17)18)7-11(12)14/h1-7,15H.
What are the key properties of 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide?
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide has a molecular weight of 347.18 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 2796797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).