4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide

C13H8Cl2N2O5S — CID 11187999

IUPAC4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8Cl2N2O5S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(15)7-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeySCEQTOSSGLCWIQ-UHFFFAOYSA-N
MW375.19 g/mol
LogP3.02
Rot. Bonds4

About 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide

4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide (PubChem CID 11187999) has the molecular formula C13H8Cl2N2O5S and a molecular weight of 375.19 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide
PubChem CID11187999
Molecular FormulaC13H8Cl2N2O5S
Molecular Weight375.19 g/mol
Exact Mass373.95
IUPAC Name4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H8Cl2N2O5S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(15)7-12(11)17(19)20/h1-7H,(H,16,18)
InChIKeySCEQTOSSGLCWIQ-UHFFFAOYSA-N
XLogP3.02
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
CID 11239299
4-Chloro-2-nitro-N-(4-sulfamoyl-benzyl)-benzamide
CID 1150884
N-[4-(acetylsulfamoyl)phenyl]-4-chloro-2-nitrobenzamide
CID 1371333
2-{[(4-Chlorobenzyl)sulfonyl]amino}benzamide
CID 2227897
2,4-dichloro-N-(3-nitrophenyl)sulfonylbenzamide
CID 11211061
2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-(3,5-dichlorophenyl)benzamide
CID 44563676
2,4-dichloro-N-(4-nitrophenyl)sulfonylbenzamide
CID 11462990
2-amino-4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11308204
4-chloro-2-nitro-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 1345434
2-{[(4-Chlorophenyl)sulfonyl]amino}benzamide
CID 823646
N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide
CID 11439243
(E)-N-(4-chlorophenyl)sulfonyl-3-(2-nitrophenyl)prop-2-enamide
CID 56671995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide (CID 11187999) is 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide?
The InChIKey is SCEQTOSSGLCWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O5S/c14-8-1-4-10(5-2-8)23(21,22)16-13(18)11-6-3-9(15)7-12(11)17(19)20/h1-7H,(H,16,18).
What are the key properties of 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide?
4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide has a molecular weight of 375.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)sulfonyl-2-nitrobenzamide is sourced from PubChem (CID 11187999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).