4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

C15H17NO3S — CID 743491

IUPAC4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-3-5-13(6-4-12)11-16-20(17,18)15-9-7-14(19-2)8-10-15/h3-10,16H,11H2,1-2H3
InChIKeyPAIJRRXAEGQQNV-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.48
Rot. Bonds5

About 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide

4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (PubChem CID 743491) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
PubChem CID743491
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
InChIInChI=1S/C15H17NO3S/c1-12-3-5-13(6-4-12)11-16-20(17,18)15-9-7-14(19-2)8-10-15/h3-10,16H,11H2,1-2H3
InChIKeyPAIJRRXAEGQQNV-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-methoxybenzyl)benzenesulfonamide
CID 854251
4-[2-[(4-Methoxyphenyl)methylamino]ethyl]benzenesulfonamide
CID 4718971
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
N-(4-Methoxy-benzyl)-4-(piperidine-1-sulfonyl)-benzenesulfonamide
CID 654019
1-Benzyl-4-(4-methoxyphenyl)sulfonylpiperazine
CID 660773
4-methoxy-N-(4-methoxybenzyl)benzenesulfonamide
CID 741350
N-benzyl-2,5-dimethoxybenzenesulfonamide
CID 741450
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 868666
Benzene-1,4-disulfonic acid 1-cyclopropylamide 4-(4-methoxy-benzylamide)
CID 1429251

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide (CID 743491) is 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
The InChIKey is PAIJRRXAEGQQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-12-3-5-13(6-4-12)11-16-20(17,18)15-9-7-14(19-2)8-10-15/h3-10,16H,11H2,1-2H3.
What are the key properties of 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide?
4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide 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 4-methoxy-N-[(4-methylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 743491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).