N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

C21H21NO3S — CID 1348714

IUPACN-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-17-8-14-21(15-9-17)26(23,24)22(16-18-6-4-3-5-7-18)19-10-12-20(25-2)13-11-19/h3-15H,16H2,1-2H3
InChIKeySIXSFDVHDGTUML-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.40
Rot. Bonds6

About N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide

N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (PubChem CID 1348714) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
PubChem CID1348714
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC NameN-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide
SMILESCOc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-17-8-14-21(15-9-17)26(23,24)22(16-18-6-4-3-5-7-18)19-10-12-20(25-2)13-11-19/h3-15H,16H2,1-2H3
InChIKeySIXSFDVHDGTUML-UHFFFAOYSA-N
XLogP4.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-(Diethylamino)benzyl)-4-methoxy-N-(p-tolyl)benzenesulfonamide
CID 71584280
6-Fluoro-1-[(4-methoxyphenyl)sulfonyl]-2-methyl-1,2,3,4-tetrahydroquinoline
CID 2933892
N-(4-Ethoxyphenyl)-4-methylbenzenesulfonamide
CID 284083
1-[(4-Methoxyphenyl)sulfonyl]-2-methylindoline
CID 2989329
1-[(4-Tert-butylphenyl)sulfonyl]-4-(4-methoxyphenyl)piperazine
CID 3860166
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-methylbenzenesulfonamide
CID 398712
4-[1-(4-Methoxyphenyl)-4,5-dihydroimidazol-2-yl]benzenesulfonamide
CID 145957040
N-(2-azepan-1-yl-2-oxoethyl)-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 1001017
N-(2-Methoxy-phenyl)-4-methyl-N-oxiranylmethyl-benzenesulfonamide
CID 3133076
N-[[1-(4-methoxyphenyl)-3-pyrrolidinyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3238534
6-Methoxy-2,2,4-trimethyl-1-[(4-methylphenyl)sulfonyl]-1,2-dihydroquinoline
CID 988603
1-(2,3-Dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147613

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide (CID 1348714) is N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
The InChIKey is SIXSFDVHDGTUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-17-8-14-21(15-9-17)26(23,24)22(16-18-6-4-3-5-7-18)19-10-12-20(25-2)13-11-19/h3-15H,16H2,1-2H3.
What are the key properties of N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(4-methoxyphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 1348714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).