N-(2-methylsulfonylphenyl)-2-nitrobenzamide

C14H12N2O5S — CID 22245129

IUPACN-(2-methylsulfonylphenyl)-2-nitrobenzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5S/c1-22(20,21)13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyZRZWYOADLBZDEE-UHFFFAOYSA-N
MW320.33 g/mol
LogP2.25
Rot. Bonds4

About N-(2-methylsulfonylphenyl)-2-nitrobenzamide

N-(2-methylsulfonylphenyl)-2-nitrobenzamide (PubChem CID 22245129) has the molecular formula C14H12N2O5S and a molecular weight of 320.33 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-2-nitrobenzamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-2-nitrobenzamide
PubChem CID22245129
Molecular FormulaC14H12N2O5S
Molecular Weight320.33 g/mol
Exact Mass320.05
IUPAC NameN-(2-methylsulfonylphenyl)-2-nitrobenzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C14H12N2O5S/c1-22(20,21)13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyZRZWYOADLBZDEE-UHFFFAOYSA-N
XLogP2.25
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 52.25
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-tert-butyl-2-[(2-nitrobenzoyl)amino]benzamide
CID 4264327
[2-[(2-nitrobenzoyl)amino]phenyl]carbamic acid
CID 69256902
2-nitro-N-[5-[(2-nitrobenzoyl)amino]naphthalen-1-yl]benzamide
CID 15997975
methyl 2-[[2-[[2-[(2-nitrobenzoyl)amino]benzoyl]amino]benzoyl]amino]benzoate
CID 12618654
N-(4-methoxy-2-nitrophenyl)-2-methylsulfonylbenzamide
CID 7267049
2-nitro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17150872
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
2-amino-3-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 61111804
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 7725037
benzenesulfonyl-[2-[(2-nitrobenzoyl)amino]phenyl]azanide;rubidium(1+)
CID 164711556

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-2-nitrobenzamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-2-nitrobenzamide (CID 22245129) is N-(2-methylsulfonylphenyl)-2-nitrobenzamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-2-nitrobenzamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-2-nitrobenzamide is CS(=O)(=O)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(2-methylsulfonylphenyl)-2-nitrobenzamide?
The InChIKey is ZRZWYOADLBZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5S/c1-22(20,21)13-9-5-3-7-11(13)15-14(17)10-6-2-4-8-12(10)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-(2-methylsulfonylphenyl)-2-nitrobenzamide?
N-(2-methylsulfonylphenyl)-2-nitrobenzamide has a molecular weight of 320.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-2-nitrobenzamide is sourced from PubChem (CID 22245129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).