N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide

C15H12ClF2NO3S — CID 8502246

IUPACN-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H12ClF2NO3S/c1-9-2-5-11(16)8-13(9)19-14(20)10-3-6-12(7-4-10)23(21,22)15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyNVWGZZCAUXJASM-UHFFFAOYSA-N
MW359.78 g/mol
LogP3.90
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide

N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide (PubChem CID 8502246) has the molecular formula C15H12ClF2NO3S and a molecular weight of 359.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
PubChem CID8502246
Molecular FormulaC15H12ClF2NO3S
Molecular Weight359.78 g/mol
Exact Mass359.02
IUPAC NameN-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C15H12ClF2NO3S/c1-9-2-5-11(16)8-13(9)19-14(20)10-3-6-12(7-4-10)23(21,22)15(17)18/h2-8,15H,1H3,(H,19,20)
InChIKeyNVWGZZCAUXJASM-UHFFFAOYSA-N
XLogP3.90
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate
CID 2499544
4-(difluoromethylsulfonyl)-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]benzamide
CID 55700509
4-(tert-butylsulfamoyl)-N-(5-chloro-2-methylphenyl)benzamide
CID 29411178
4-[(5-chloro-2-methylphenyl)carbamoyl]benzoic acid
CID 43386540
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895
N-(5-chloro-2-methylphenyl)-3-(methanesulfonamido)-4-methylbenzamide
CID 41453282
N-(5-chloro-2-methylphenyl)-4-(1-methoxypropan-2-ylsulfamoyl)benzamide
CID 42910827
4-(difluoromethylsulfonyl)-N-(2-fluorophenyl)benzamide
CID 8780386
N-(5-chloro-2-methylphenyl)-3,5-dimethylbenzamide
CID 918666
N-(5-chloro-2-methylphenyl)-4-(trifluoromethoxy)benzamide
CID 2107466
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
N-(5-chloro-2-methylphenyl)-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 43333228

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide (CID 8502246) is N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
The InChIKey is NVWGZZCAUXJASM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF2NO3S/c1-9-2-5-11(16)8-13(9)19-14(20)10-3-6-12(7-4-10)23(21,22)15(17)18/h2-8,15H,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide?
N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide has a molecular weight of 359.78 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-(difluoromethylsulfonyl)benzamide is sourced from PubChem (CID 8502246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).