1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide

C15H17NO3S — CID 127510090

IUPAC1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-12-5-3-4-6-15(12)16-20(17,18)11-13-7-9-14(19-2)10-8-13/h3-10,16H,11H2,1-2H3
InChIKeyALTONLUMLWIMRO-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.95
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide

1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide (PubChem CID 127510090) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
PubChem CID127510090
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CS(=O)(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C15H17NO3S/c1-12-5-3-4-6-15(12)16-20(17,18)11-13-7-9-14(19-2)10-8-13/h3-10,16H,11H2,1-2H3
InChIKeyALTONLUMLWIMRO-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

1-(3-aminophenyl)-N-(2-methylphenyl)methanesulfonamide
CID 43256226
N-(4,5-dimethoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 8516229
N-(4-methoxy-2,5-dimethylphenyl)-1-phenylmethanesulfonamide
CID 110776887
1-(4-chlorophenyl)-N-(2,3-dimethylphenyl)methanesulfonamide
CID 18891284
N-[2-(4-methoxyphenyl)ethyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27548689
N-(5-chloro-4-methoxy-2-methylphenyl)-1-phenylmethanesulfonamide
CID 110777323
N-[(4-methoxyphenyl)methyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 2234266
1-(4-methoxyphenyl)-3-[4-[(2-methylphenyl)sulfamoyl]phenyl]urea
CID 1405682
N-(5-ethyl-2-methoxyphenyl)-1-phenylmethanesulfonamide
CID 110777258
2-amino-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 28522742
N-(5-chloro-2-methylphenyl)-1-phenylmethanesulfonamide
CID 788792
methyl 4-[(2,5-dimethoxyphenyl)sulfamoylmethyl]benzoate
CID 28632724

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide (CID 127510090) is 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide is COc1ccc(CS(=O)(=O)Nc2ccccc2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide?
The InChIKey is ALTONLUMLWIMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-5-3-4-6-15(12)16-20(17,18)11-13-7-9-14(19-2)10-8-13/h3-10,16H,11H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide?
1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide 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 1-(4-methoxyphenyl)-N-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 127510090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).