2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide

C14H10ClFN2O5S — CID 31929454

IUPAC2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C14H10ClFN2O5S/c1-24(22,23)9-3-5-12(16)13(7-9)17-14(19)10-6-8(18(20)21)2-4-11(10)15/h2-7H,1H3,(H,17,19)
InChIKeyQXMYRJJDSQWJGF-UHFFFAOYSA-N
MW372.76 g/mol
LogP3.04
Rot. Bonds4

About 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide

2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide (PubChem CID 31929454) has the molecular formula C14H10ClFN2O5S and a molecular weight of 372.76 g/mol. Its IUPAC name is 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
PubChem CID31929454
Molecular FormulaC14H10ClFN2O5S
Molecular Weight372.76 g/mol
Exact Mass372.00
IUPAC Name2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide
SMILESCS(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C14H10ClFN2O5S/c1-24(22,23)9-3-5-12(16)13(7-9)17-14(19)10-6-8(18(20)21)2-4-11(10)15/h2-7H,1H3,(H,17,19)
InChIKeyQXMYRJJDSQWJGF-UHFFFAOYSA-N
XLogP3.04
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.76
LogP ≤ 53.04
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

2-chloro-N-(2,5-difluorophenyl)-5-nitrobenzamide
CID 7770244
5-bromo-2-chloro-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1338128
2-chloro-5-methylsulfonyl-N-(4-nitrophenyl)benzamide
CID 39753595
2-chloro-N-(2,4-difluorophenyl)-5-nitrobenzamide
CID 776265
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396
N-(2-bromo-5-chlorophenyl)-2-chloro-5-nitrobenzamide
CID 81270163
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
2-fluoro-N-(2-fluoro-5-nitrophenyl)-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 52696059
N-(2-bromo-5-fluorophenyl)-2-chloro-5-nitrobenzamide
CID 103753653
5-chloro-N-(2-fluoro-5-nitrophenyl)-4-iodo-2-methoxybenzamide
CID 52696142
N-(4-chloro-2-iodophenyl)-2-fluoro-5-nitrobenzamide
CID 103766905

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide?
The IUPAC name of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide (CID 31929454) is 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide?
The canonical SMILES for 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide is CS(=O)(=O)c1ccc(F)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide?
The InChIKey is QXMYRJJDSQWJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O5S/c1-24(22,23)9-3-5-12(16)13(7-9)17-14(19)10-6-8(18(20)21)2-4-11(10)15/h2-7H,1H3,(H,17,19).
What are the key properties of 2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide?
2-chloro-N-(2-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide has a molecular weight of 372.76 g/mol, XLogP of 3.04, 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-fluoro-5-methylsulfonylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 31929454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).