N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide

C15H17NO3S — CID 5146130

IUPACN-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-11-4-8-14(9-5-11)20(17,18)16-15-10-13(19-3)7-6-12(15)2/h4-10,16H,1-3H3
InChIKeyQQJQAWAGJMBFAO-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.11
Rot. Bonds4

About N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide

N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 5146130) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID5146130
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC NameN-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C15H17NO3S/c1-11-4-8-14(9-5-11)20(17,18)16-15-10-13(19-3)7-6-12(15)2/h4-10,16H,1-3H3
InChIKeyQQJQAWAGJMBFAO-UHFFFAOYSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-(4-methoxy-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 22202548
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-[5-(1,3-dimethylpyrrol-2-yl)-2-methylphenyl]-4-methoxybenzenesulfonamide
CID 154073636
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 743974
N-[2-amino-4-(4-methoxyphenoxy)phenyl]-4-methylbenzenesulfonamide
CID 11696675
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
4-methyl-N-(2,4,5-trimethoxyphenyl)benzenesulfonamide
CID 101056071
4-bromo-N-(2,5-dimethylphenyl)benzenesulfonamide
CID 4517500

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide (CID 5146130) is N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide is COc1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is QQJQAWAGJMBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-11-4-8-14(9-5-11)20(17,18)16-15-10-13(19-3)7-6-12(15)2/h4-10,16H,1-3H3.
What are the key properties of N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide?
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 5146130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).