N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide

C15H16ClNO2S — CID 967645

IUPACN-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C15H16ClNO2S/c1-12-4-3-5-15(10-12)17(20(2,18)19)11-13-6-8-14(16)9-7-13/h3-10H,11H2,1-2H3
InChIKeyNGWJNKNPHSHBJZ-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.61
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide

N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide (PubChem CID 967645) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
PubChem CID967645
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC NameN-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide
SMILESCc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C15H16ClNO2S/c1-12-4-3-5-15(10-12)17(20(2,18)19)11-13-6-8-14(16)9-7-13/h3-10H,11H2,1-2H3
InChIKeyNGWJNKNPHSHBJZ-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-[(4-chlorophenyl)methyl]-N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 46772102
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
2-[(4-chlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-ethylbutanamide
CID 132944772
N-methyl-4-[(3-methyl-N-methylsulfonylanilino)methyl]-N-[(4-methylphenyl)methyl]benzamide
CID 30392525
2-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113151118
N-[(4-chlorophenyl)methyl]-N-methyl-2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 46763476
N-[(4-chlorophenyl)methyl]-4-(3-methyl-N-methylsulfonylanilino)butanamide
CID 53285185
(2R)-N-[(2S)-butan-2-yl]-2-[(4-chlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]butanamide
CID 100701561
(2R)-2-[(4-chlorophenyl)methyl-[2-(3-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 125056704
ethyl 3-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 28637033
ethyl 2-chloro-4-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]amino]benzoate
CID 46778522
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]benzamide
CID 43880944

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide (CID 967645) is N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide is Cc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide?
The InChIKey is NGWJNKNPHSHBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-12-4-3-5-15(10-12)17(20(2,18)19)11-13-6-8-14(16)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide?
N-[(4-chlorophenyl)methyl]-N-(3-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-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 967645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).