2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide

C12H8Cl2N2O4S — CID 3688341

IUPAC2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)12-7-10(16(17)18)5-6-11(12)14/h1-7,15H
InChIKeyIMDRFAQPVVSKJD-UHFFFAOYSA-N
MW347.18 g/mol
LogP3.70
Rot. Bonds4

About 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide

2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide (PubChem CID 3688341) has the molecular formula C12H8Cl2N2O4S and a molecular weight of 347.18 g/mol. Its IUPAC name is 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
PubChem CID3688341
Molecular FormulaC12H8Cl2N2O4S
Molecular Weight347.18 g/mol
Exact Mass345.96
IUPAC Name2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C12H8Cl2N2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)12-7-10(16(17)18)5-6-11(12)14/h1-7,15H
InChIKeyIMDRFAQPVVSKJD-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

4-Chloro-3-nitrobenzenesulfonamide
CID 7324
2-Chloro-5-nitrobenzenesulfonic acid
CID 7310
2-Chloro-5-nitrobenzenesulfonamide
CID 66784
4-amino-N-(4-chlorophenyl)benzenesulfonamide
CID 788021
2'-Chloro-4'-nitrobenzenesulfonanilide
CID 231836
5-Amino-2-chloro-N-(3-chloro-phenyl)-benzenesulfonamide
CID 3724108
5-amino-2-chloro-N-(2-chlorophenyl)benzene-1-sulfonamide
CID 3822591
2-Chloro-5-nitrobenzenesulfonyl chloride
CID 20630
Benzenesulfonamide, 4-chloro-3-nitro-N-phenyl-
CID 67302
N-(4-Chlorophenyl)benzenesulfonamide
CID 20865
3-Nitrobenzenesulfonanilide
CID 120051
5-Amino-2-chloro-N-(4-chloro-phenyl)-benzenesulfonamide
CID 3434495

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide?
The IUPAC name of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide (CID 3688341) is 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide.
What is the SMILES notation for 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide?
The canonical SMILES for 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide?
The InChIKey is IMDRFAQPVVSKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N2O4S/c13-8-1-3-9(4-2-8)15-21(19,20)12-7-10(16(17)18)5-6-11(12)14/h1-7,15H.
What are the key properties of 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide?
2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide 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 2-chloro-N-(4-chlorophenyl)-5-nitrobenzenesulfonamide is sourced from PubChem (CID 3688341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).