N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide

C19H13ClN2O5S — CID 1309962

IUPACN-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13ClN2O5S/c20-14-8-2-3-9-15(14)21-19(23)13-7-1-5-11-17(13)28(26,27)18-12-6-4-10-16(18)22(24)25/h1-12H,(H,21,23)
InChIKeyUABSNGCIBUDLIT-UHFFFAOYSA-N
MW416.84 g/mol
LogP4.33
Rot. Bonds5

About N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide

N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide (PubChem CID 1309962) has the molecular formula C19H13ClN2O5S and a molecular weight of 416.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide
PubChem CID1309962
Molecular FormulaC19H13ClN2O5S
Molecular Weight416.84 g/mol
Exact Mass416.02
IUPAC NameN-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESO=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13ClN2O5S/c20-14-8-2-3-9-15(14)21-19(23)13-7-1-5-11-17(13)28(26,27)18-12-6-4-10-16(18)22(24)25/h1-12H,(H,21,23)
InChIKeyUABSNGCIBUDLIT-UHFFFAOYSA-N
XLogP4.33
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 54.33
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-(acetylamino)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310106
N-(4-fluorophenyl)-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 1310552
N-[2-(aminocarbonyl)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 2191770
2-[(2-chloro-4-nitrophenyl)thio]-N-(2-ethylphenyl)benzamide
CID 2195501
S-[2-[[4-(4-nitrophenyl)sulfonylphenyl]carbamoyl]phenyl] 5-bromopentanethioate
CID 471811
N-[4-(acetylamino)phenyl]-2-[(4-nitrophenyl)sulfonyl]benzamide
CID 1310538
N-[4-(aminocarbonyl)phenyl]-2-[(2-nitrophenyl)sulfonyl]benzamide
CID 2191063
N-[4-(acetylamino)phenyl]-2-[(2-chloro-4-nitrophenyl)thio]benzamide
CID 3854514
N-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 2800266
4-[(2-chlorophenyl)sulfonyl]-N-cyclohexyl-3-nitrobenzamide
CID 4105633
N-[2-(4-chloro-2-nitrophenyl)sulfanylphenyl]-4-methylbenzamide
CID 2807180
4-(2-Chlorobenzenesulfonyl)-N-(2-fluorophenyl)-3-nitrobenzamide
CID 4121565

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide (CID 1309962) is N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide is O=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The InChIKey is UABSNGCIBUDLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O5S/c20-14-8-2-3-9-15(14)21-19(23)13-7-1-5-11-17(13)28(26,27)18-12-6-4-10-16(18)22(24)25/h1-12H,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide has a molecular weight of 416.84 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 1309962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).