2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide

C15H13ClN2O5S — CID 43012309

IUPAC2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
SMILESCc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O5S/c1-9-13(4-3-5-14(9)18(20)21)17-15(19)11-8-10(24(2,22)23)6-7-12(11)16/h3-8H,1-2H3,(H,17,19)
InChIKeyFQQTUHXGBRQIEM-UHFFFAOYSA-N
MW368.80 g/mol
LogP3.21
Rot. Bonds4

About 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide

2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide (PubChem CID 43012309) has the molecular formula C15H13ClN2O5S and a molecular weight of 368.80 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
PubChem CID43012309
Molecular FormulaC15H13ClN2O5S
Molecular Weight368.80 g/mol
Exact Mass368.02
IUPAC Name2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
SMILESCc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C15H13ClN2O5S/c1-9-13(4-3-5-14(9)18(20)21)17-15(19)11-8-10(24(2,22)23)6-7-12(11)16/h3-8H,1-2H3,(H,17,19)
InChIKeyFQQTUHXGBRQIEM-UHFFFAOYSA-N
XLogP3.21
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 53.21
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'}

Analyze 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide 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

2-methyl-N-(2-methyl-5-methylsulfonylphenyl)-3-nitrobenzamide
CID 27990756
2,4,5-trimethyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 100709194
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766
3-bromo-4-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 103841663
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
2-methyl-N-(2-methyl-3-nitrophenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 9398216
2-(methylamino)-N-(2-methyl-3-nitrophenyl)benzamide
CID 60706284
2-hydrazinyl-N-(2-methyl-3-nitrophenyl)benzamide
CID 107810341
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
5-chloro-2-methoxy-N-(2-methyl-3-nitrophenyl)benzamide
CID 885071

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide?
The IUPAC name of 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide (CID 43012309) is 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide?
The canonical SMILES for 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide is Cc1c(NC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide?
The InChIKey is FQQTUHXGBRQIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O5S/c1-9-13(4-3-5-14(9)18(20)21)17-15(19)11-8-10(24(2,22)23)6-7-12(11)16/h3-8H,1-2H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide?
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide has a molecular weight of 368.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide is sourced from PubChem (CID 43012309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).