N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide

C13H9ClN2O5S — CID 3445302

IUPACN-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN2O5S/c14-10-4-6-12(7-5-10)22(20,21)15-13(17)9-2-1-3-11(8-9)16(18)19/h1-8H,(H,15,17)
InChIKeyUGXBPCAVTMUXRD-UHFFFAOYSA-N
MW340.74 g/mol
LogP2.37
Rot. Bonds4

About N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide

N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide (PubChem CID 3445302) has the molecular formula C13H9ClN2O5S and a molecular weight of 340.74 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
PubChem CID3445302
Molecular FormulaC13H9ClN2O5S
Molecular Weight340.74 g/mol
Exact Mass339.99
IUPAC NameN-(4-chlorophenyl)sulfonyl-3-nitrobenzamide
SMILESO=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H9ClN2O5S/c14-10-4-6-12(7-5-10)22(20,21)15-13(17)9-2-1-3-11(8-9)16(18)19/h1-8H,(H,15,17)
InChIKeyUGXBPCAVTMUXRD-UHFFFAOYSA-N
XLogP2.37
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.74
LogP ≤ 52.37
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

N-(4-methoxyphenyl)sulfonyl-3-nitrobenzamide
CID 22007146
2-chloro-N-(4-chlorophenyl)sulfonyl-4-nitrobenzamide;N-(4-chlorophenyl)sulfonylbenzamide
CID 11239298
N-[4-[(3-nitrophenyl)sulfonylamino]phenyl]sulfonylbenzamide
CID 22772942
N-[5-[(4-chlorophenyl)sulfamoyl]-2-methylphenyl]-3-nitrobenzamide
CID 4546523
4-[(3-nitrobenzoyl)amino]benzenesulfonyl chloride
CID 13315406
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
2-[(4-chlorophenyl)methyl]-2-methyl-N-(3-nitrophenyl)sulfonyl-3H-1-benzofuran-5-carboxamide
CID 132768281
N-methoxy-4-[[(3-nitrobenzoyl)amino]carbamoyl]benzenesulfonamide
CID 55704286
[amino-(3-nitrophenyl)methylidene]-(4-chlorophenyl)sulfonyloxyazanium
CID 6348260
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(2-bromo-5-chlorophenyl)-3-nitrobenzamide
CID 81272714

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide (CID 3445302) is N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide is O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide?
The InChIKey is UGXBPCAVTMUXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O5S/c14-10-4-6-12(7-5-10)22(20,21)15-13(17)9-2-1-3-11(8-9)16(18)19/h1-8H,(H,15,17).
What are the key properties of N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide?
N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide has a molecular weight of 340.74 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-3-nitrobenzamide is sourced from PubChem (CID 3445302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).