N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide

C21H21NO3S — CID 129241457

IUPACN-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-16-7-13-20(14-8-16)26(23,24)22-15-18-5-3-4-6-21(18)17-9-11-19(25-2)12-10-17/h3-14,22H,15H2,1-2H3
InChIKeyRSVZTRXKKXHAIK-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.15
Rot. Bonds6

About N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide

N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide (PubChem CID 129241457) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
PubChem CID129241457
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-16-7-13-20(14-8-16)26(23,24)22-15-18-5-3-4-6-21(18)17-9-11-19(25-2)12-10-17/h3-14,22H,15H2,1-2H3
InChIKeyRSVZTRXKKXHAIK-UHFFFAOYSA-N
XLogP4.15
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxyphenyl)methyl]-4-methoxybenzenesulfonamide
CID 115753767
N-[(2,3-dimethylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 3830787
N-benzyl-4-methoxybenzenesulfonamide
CID 741351
4-methoxy-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]benzenesulfonamide
CID 110445902
4-methyl-N-[[2-[2-[2-(4-methylphenyl)ethynyl]phenyl]phenyl]methyl]benzenesulfonamide
CID 162416222
4-methoxy-N-[2-(2-sulfanylphenyl)ethyl]benzenesulfonamide
CID 57323122
4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597144
4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 110324686
4-methoxy-N-[(2,3,4-trifluorophenyl)methyl]benzenesulfonamide
CID 4204453
[4-[(2-methoxyphenyl)methylsulfamoyl]phenyl] acetate
CID 57422344
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
N-[(3-chloro-2-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 58009712

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide (CID 129241457) is N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide is COc1ccc(-c2ccccc2CNS(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide?
The InChIKey is RSVZTRXKKXHAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-16-7-13-20(14-8-16)26(23,24)22-15-18-5-3-4-6-21(18)17-9-11-19(25-2)12-10-17/h3-14,22H,15H2,1-2H3.
What are the key properties of N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide?
N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)phenyl]methyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 129241457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).