N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

C15H17NO3S — CID 779351

IUPACN-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-10,16H,11H2,1-2H3
InChIKeyGYYMAJFNINSNPO-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.48
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide

N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (PubChem CID 779351) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
PubChem CID779351
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-10,16H,11H2,1-2H3
InChIKeyGYYMAJFNINSNPO-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-Methoxybenzylidene)-4-methylbenzenesulfonamide
CID 5706325
N-(2-(3,4-Dimethoxyphenyl)ethyl)benzenesulfonamide
CID 748770
N'-(4-Methoxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 5331359
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methylbenzene-1-sulfonamide
CID 703894
N-(4-methoxybenzyl)benzenesulfonamide
CID 854251
N-(4-diethylaminoethoxybenzyl)benzene-1,4-bis-sulfonamide (I-3)
CID 25059531
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
4-[(4-Methoxyphenyl)tellanylmethyl]benzenesulfonamide
CID 155523492
N-benzyl-2,5-diethoxybenzenesulfonamide
CID 775818
N-[1-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 3672307
N-[(4-methoxyphenyl)methyl]-4-propoxybenzenesulfonamide
CID 1870954
4-methoxy-N-(4-phenylbutan-2-yl)benzenesulfonamide
CID 2915782

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide (CID 779351) is N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is COc1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
The InChIKey is GYYMAJFNINSNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-3-9-15(10-4-12)20(17,18)16-11-13-5-7-14(19-2)8-6-13/h3-10,16H,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide?
N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 779351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).