N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide

C16H17ClN2O3S — CID 47001301

IUPACN-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)cccc1N(C)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-11-12(7-6-10-15(11)19(2)23(3,21)22)16(20)18-14-9-5-4-8-13(14)17/h4-10H,1-3H3,(H,18,20)
InChIKeyRHBVKOAOSXFWJA-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.30
Rot. Bonds4

About N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide

N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 47001301) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
PubChem CID47001301
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC NameN-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
SMILESCc1c(C(=O)Nc2ccccc2Cl)cccc1N(C)S(C)(=O)=O
InChIInChI=1S/C16H17ClN2O3S/c1-11-12(7-6-10-15(11)19(2)23(3,21)22)16(20)18-14-9-5-4-8-13(14)17/h4-10H,1-3H3,(H,18,20)
InChIKeyRHBVKOAOSXFWJA-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50947524
N-(2,5-dimethylphenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide
CID 50944671
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-3-nitrophenyl)benzamide
CID 51336376
2-[methyl(methylsulfonyl)amino]-N-[2-(trifluoromethyl)phenyl]benzamide
CID 27001436
N-(2,5-dimethylphenyl)-2-[methyl(methylsulfonyl)amino]benzamide
CID 18144899
N-cyclohexyl-2-[[2-[methyl(methylsulfonyl)amino]benzoyl]amino]benzamide
CID 2956335
2-chloro-N-[5-(dimethylsulfamoyl)-2,3-dimethylphenyl]benzamide
CID 16564311
2-chloro-N-(2-chlorophenyl)-5-(dimethylsulfamoyl)benzamide
CID 1310418
2-chloro-N-(2-chlorophenyl)-3-methoxybenzamide
CID 45051392
N-(2-chlorophenyl)-2-iodobenzamide
CID 1105942
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-methyl-3-[methyl(methylsulfonyl)amino]-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide
CID 100516477

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide (CID 47001301) is N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide is Cc1c(C(=O)Nc2ccccc2Cl)cccc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is RHBVKOAOSXFWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-11-12(7-6-10-15(11)19(2)23(3,21)22)16(20)18-14-9-5-4-8-13(14)17/h4-10H,1-3H3,(H,18,20).
What are the key properties of N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide?
N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 352.84 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-methyl-3-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 47001301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).