2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide

C20H15ClFN3O5S — CID 18893036

IUPAC2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C20H15ClFN3O5S/c1-12-6-7-13(25(27)28)10-19(12)24-31(29,30)14-8-9-18(17(22)11-14)23-20(26)15-4-2-3-5-16(15)21/h2-11,24H,1H3,(H,23,26)
InChIKeyHOVPKNLXNIKLKJ-UHFFFAOYSA-N
MW463.87 g/mol
LogP4.75
Rot. Bonds6

About 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide

2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide (PubChem CID 18893036) has the molecular formula C20H15ClFN3O5S and a molecular weight of 463.87 g/mol. Its IUPAC name is 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide
PubChem CID18893036
Molecular FormulaC20H15ClFN3O5S
Molecular Weight463.87 g/mol
Exact Mass463.04
IUPAC Name2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1
InChIInChI=1S/C20H15ClFN3O5S/c1-12-6-7-13(25(27)28)10-19(12)24-31(29,30)14-8-9-18(17(22)11-14)23-20(26)15-4-2-3-5-16(15)21/h2-11,24H,1H3,(H,23,26)
InChIKeyHOVPKNLXNIKLKJ-UHFFFAOYSA-N
XLogP4.75
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.87
LogP ≤ 54.75
H-Bond Donors ≤ 52
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-fluoro-4-[(2-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892974
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
2-chloro-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892982
3-chloro-N-(2-methyl-5-nitrophenyl)-2-nitrobenzamide
CID 22238135
2-chloro-N-[2-fluoro-4-[(2-phenylsulfanylphenyl)sulfamoyl]phenyl]benzamide
CID 18893032
2-chloro-N-[2-fluoro-4-(3-methylbutylsulfamoyl)phenyl]benzamide
CID 18893027
N-[4-[(4-carbamoylphenyl)sulfamoyl]-2-fluorophenyl]-2-chlorobenzamide
CID 18892993
4-chloro-N-[4-[(2,5-dimethylphenyl)sulfamoyl]-2-fluorophenyl]benzamide
CID 18892609
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2-methyl-5-nitrophenyl)thiophene-2-carboxamide
CID 55876008
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxy-4-nitrophenyl)benzamide
CID 18575745
N-(2-fluorophenyl)-2-methyl-5-[(2-methylphenyl)sulfamoyl]benzamide
CID 34857283
2-chloro-N-(2,4-difluorophenyl)-4-nitrobenzamide
CID 773721

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide (CID 18893036) is 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide is Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1.
What is the InChIKey of 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is HOVPKNLXNIKLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O5S/c1-12-6-7-13(25(27)28)10-19(12)24-31(29,30)14-8-9-18(17(22)11-14)23-20(26)15-4-2-3-5-16(15)21/h2-11,24H,1H3,(H,23,26).
What are the key properties of 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide?
2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 463.87 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-fluoro-4-[(2-methyl-5-nitrophenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 18893036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).