N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide

C19H14N2O5S — CID 19211365

IUPACN-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
SMILESO=C(c1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H14N2O5S/c22-19(15-8-7-11-17(14-15)21(23)24)20(16-9-3-1-4-10-16)27(25,26)18-12-5-2-6-13-18/h1-14H
InChIKeyZHNCBHBJEUVAAP-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.63
Rot. Bonds5

About N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide

N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide (PubChem CID 19211365) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
PubChem CID19211365
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC NameN-(benzenesulfonyl)-3-nitro-N-phenylbenzamide
SMILESO=C(c1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H14N2O5S/c22-19(15-8-7-11-17(14-15)21(23)24)20(16-9-3-1-4-10-16)27(25,26)18-12-5-2-6-13-18/h1-14H
InChIKeyZHNCBHBJEUVAAP-UHFFFAOYSA-N
XLogP3.63
TPSA97.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.63
H-Bond Donors ≤ 50
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'}

Analyze N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(benzenesulfonyl)-N-(4-ethylphenyl)-3-nitrobenzamide
CID 19211368
N-(4-methylphenyl)-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 10862483
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
N-(benzenesulfonyl)-N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 19210790
N-(benzenesulfonyl)-3-nitrobenzohydrazide
CID 53437533
N-(benzenesulfonyl)-N-(4-methoxyphenyl)-3,5-dinitrobenzamide
CID 19210794
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-nitrobenzamide
CID 19210767
(N-(3-nitrobenzoyl)anilino) acetate
CID 132609377
[4-[(3-nitrobenzoyl)-(2,4,5-trimethylphenyl)sulfonylamino]phenyl] 3-nitrobenzoate
CID 23853971
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 19211337
N-(methyl-oxo-phenyl-λ6-sulfanylidene)-3-nitrobenzamide
CID 122208395
4-[benzenesulfonyl(methyl)amino]-N-(3-nitrophenyl)benzamide
CID 1320507

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide?
The IUPAC name of N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide (CID 19211365) is N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide.
What is the SMILES notation for N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide?
The canonical SMILES for N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide is O=C(c1cccc([N+](=O)[O-])c1)N(c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide?
The InChIKey is ZHNCBHBJEUVAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c22-19(15-8-7-11-17(14-15)21(23)24)20(16-9-3-1-4-10-16)27(25,26)18-12-5-2-6-13-18/h1-14H.
What are the key properties of N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide?
N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide has a molecular weight of 382.40 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-3-nitro-N-phenylbenzamide is sourced from PubChem (CID 19211365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).