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

C20H19NO3S — CID 169370137

IUPACN-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H19NO3S/c1-15-8-11-18(12-9-15)25(22,23)21-20-14-17(24-2)10-13-19(20)16-6-4-3-5-7-16/h3-14,21H,1-2H3
InChIKeyLACLBSXLHFSAFO-UHFFFAOYSA-N
MW353.44 g/mol
LogP4.47
Rot. Bonds5

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

N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide (PubChem CID 169370137) has the molecular formula C20H19NO3S and a molecular weight of 353.44 g/mol. Its IUPAC name is N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
PubChem CID169370137
Molecular FormulaC20H19NO3S
Molecular Weight353.44 g/mol
Exact Mass353.11
IUPAC NameN-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C20H19NO3S/c1-15-8-11-18(12-9-15)25(22,23)21-20-14-17(24-2)10-13-19(20)16-6-4-3-5-7-16/h3-14,21H,1-2H3
InChIKeyLACLBSXLHFSAFO-UHFFFAOYSA-N
XLogP4.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methoxyphenyl)-5-nitrophenyl]-4-methylbenzenesulfonamide
CID 139253973
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-[2-[5-(hydroxymethyl)furan-2-yl]-5-methoxyphenyl]-4-methylbenzenesulfonamide
CID 169372273
N-[5-methoxy-2-(2H-tetrazol-5-yl)phenyl]-4-(4-methylphenyl)benzenesulfonamide
CID 171350497
N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 67653567
N-[4-chloro-2-(3-methoxyphenyl)phenyl]-4-methylbenzenesulfonamide
CID 135075139
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
2,4-dichloro-5-hydroxy-N-(5-methoxy-2-phenylphenyl)benzenesulfonamide
CID 90488956
methyl 2-[(4-methylphenyl)sulfonylamino]-5-[4-[(4-methylphenyl)sulfonylamino]-3-phenylphenoxy]benzoate
CID 59566214
4-bromo-N-[2-(3-methoxyphenyl)phenyl]benzenesulfonamide
CID 135086781
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 1289212
N-(2,4-dimethoxyphenyl)-4-phenoxybenzenesulfonamide
CID 46764272

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide (CID 169370137) is N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide is COc1ccc(-c2ccccc2)c(NS(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is LACLBSXLHFSAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3S/c1-15-8-11-18(12-9-15)25(22,23)21-20-14-17(24-2)10-13-19(20)16-6-4-3-5-7-16/h3-14,21H,1-2H3.
What are the key properties of N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide?
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 353.44 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).