N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide

C15H16ClNO2S — CID 838647

IUPACN-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(Cc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H16ClNO2S/c1-12-6-3-4-9-15(12)17(20(2,18)19)11-13-7-5-8-14(16)10-13/h3-10H,11H2,1-2H3
InChIKeyZHEBDGNNLUGGFQ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.61
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide

N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide (PubChem CID 838647) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
PubChem CID838647
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1N(Cc1cccc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C15H16ClNO2S/c1-12-6-3-4-9-15(12)17(20(2,18)19)11-13-7-5-8-14(16)10-13/h3-10H,11H2,1-2H3
InChIKeyZHEBDGNNLUGGFQ-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

N-[(3-chlorophenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]butanamide
CID 133201457
N-[(2-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide
CID 3953027
N-butyl-2-[(3-chlorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 133258759
N-[(3-chlorophenyl)methyl]-4-(2-methyl-N-methylsulfonylanilino)-N-[1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 132620459
(2S)-N-butyl-2-[(3-chlorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-3-phenylpropanamide
CID 100620932
N-[(3-chlorophenyl)methyl]-N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 132627964
N-[(3-chlorophenyl)methyl]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 3637157
N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 132630300
(2S)-2-[(3-chlorophenyl)methyl-[2-(2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100500672
N-[(3-chlorophenyl)methyl]-N-[1-(cyclopentylamino)-1-oxopropan-2-yl]-4-(2-methyl-N-methylsulfonylanilino)butanamide
CID 133198468
N-[(3-chlorophenyl)methyl]-N-(2,5-dimethylphenyl)-4-methylbenzenesulfonamide
CID 3636771
2-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 132617567

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide (CID 838647) is N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide is Cc1ccccc1N(Cc1cccc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is ZHEBDGNNLUGGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-12-6-3-4-9-15(12)17(20(2,18)19)11-13-7-5-8-14(16)10-13/h3-10H,11H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide?
N-[(3-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-[(3-chlorophenyl)methyl]-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 838647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).