N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide

C15H17NO3S — CID 110776446

IUPACN-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1C
InChIInChI=1S/C15H17NO3S/c1-12-10-14(8-9-15(12)19-2)16-20(17,18)11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyCDHNFOAOUJVPEG-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.95
Rot. Bonds5

About N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide

N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide (PubChem CID 110776446) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
PubChem CID110776446
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide
SMILESCOc1ccc(NS(=O)(=O)Cc2ccccc2)cc1C
InChIInChI=1S/C15H17NO3S/c1-12-10-14(8-9-15(12)19-2)16-20(17,18)11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3
InChIKeyCDHNFOAOUJVPEG-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-phenylmethanesulfonamide
CID 6468600
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(3-bromo-4-methylphenyl)-1-phenylmethanesulfonamide
CID 55202713
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
N-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)methanesulfonamide
CID 110776517
5-(benzylsulfonylamino)-N,N,2-trimethylbenzenesulfonamide
CID 8513731
N-(3-bromo-5-methoxyphenyl)-1-phenylmethanesulfonamide
CID 135348470
N-(3-amino-4-methoxyphenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 43604676
N-[3-(4-anilinoanilino)phenyl]-1-phenylmethanesulfonamide
CID 67859373
methyl 4-(benzylsulfonylamino)benzoate
CID 743645

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide (CID 110776446) is N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide is COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1C.
What is the InChIKey of N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide?
The InChIKey is CDHNFOAOUJVPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-10-14(8-9-15(12)19-2)16-20(17,18)11-13-6-4-3-5-7-13/h3-10,16H,11H2,1-2H3.
What are the key properties of N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide?
N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-3-methylphenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 110776446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).