N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide

C15H16ClNO2S — CID 3953027

IUPACN-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H16ClNO2S/c1-12-7-3-6-10-15(12)17(20(2,18)19)11-13-8-4-5-9-14(13)16/h3-10H,11H2,1-2H3
InChIKeyCIUMGTUHDAYNQS-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.61
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide

N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 3953027) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID3953027
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(Cc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H16ClNO2S/c1-12-7-3-6-10-15(12)17(20(2,18)19)11-13-8-4-5-9-14(13)16/h3-10H,11H2,1-2H3
InChIKeyCIUMGTUHDAYNQS-UHFFFAOYSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(2-chlorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 100671808
N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 838647
N-(2,4-dimethylphenyl)-N-[(2-methylphenyl)methyl]methanesulfonamide
CID 967540
N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-N-[(2-chlorophenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 125091373
2-[(2-chlorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 133171286
(2S)-N-[(2R)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[4-(2-methyl-N-methylsulfonylanilino)butanoyl]amino]butanamide
CID 125094173
(2R)-2-[(2-chlorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100551268
N-[(2-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)-4-methylbenzenesulfonamide
CID 4313389
ethyl 4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 1281132
N-[(2,6-dichlorophenyl)methyl]-N-(2,4-dimethylphenyl)methanesulfonamide
CID 3902997
N-[(2-chlorophenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide
CID 132632715
N-[2-(2-chloro-N-methylsulfonylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113069838

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide (CID 3953027) is N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1N(Cc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is CIUMGTUHDAYNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-12-7-3-6-10-15(12)17(20(2,18)19)11-13-8-4-5-9-14(13)16/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 3953027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).