N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide

C21H20FNO2S — CID 46014799

IUPACN-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H20FNO2S/c1-16-8-12-20(13-9-16)26(24,25)23(15-18-6-4-3-5-7-18)19-11-10-17(2)21(22)14-19/h3-14H,15H2,1-2H3
InChIKeyZYEPXSFERCTFNG-UHFFFAOYSA-N
MW369.46 g/mol
LogP4.84
Rot. Bonds5

About N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide

N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 46014799) has the molecular formula C21H20FNO2S and a molecular weight of 369.46 g/mol. Its IUPAC name is N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID46014799
Molecular FormulaC21H20FNO2S
Molecular Weight369.46 g/mol
Exact Mass369.12
IUPAC NameN-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C21H20FNO2S/c1-16-8-12-20(13-9-16)26(24,25)23(15-18-6-4-3-5-7-18)19-11-10-17(2)21(22)14-19/h3-14H,15H2,1-2H3
InChIKeyZYEPXSFERCTFNG-UHFFFAOYSA-N
XLogP4.84
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46021837
N-benzyl-3-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 46022849
N-benzyl-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 35766204
N-(3-fluoro-4-methylphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 46014788
N-benzyl-4-methyl-N-(4-phenylphenyl)benzenesulfonamide
CID 162402411
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methylphenyl)methyl]benzenesulfonamide
CID 46023338
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 46023300
N-benzyl-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 126386470
N-[(4-chlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3959248
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-(3-fluoro-4-methylphenyl)-N-[(3-fluorophenyl)methyl]-3-methoxybenzenesulfonamide
CID 46022930
3-fluoro-N-(3-fluoro-4-methylphenyl)-N-[(3-methoxyphenyl)methyl]benzenesulfonamide
CID 46023299

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide (CID 46014799) is N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is ZYEPXSFERCTFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO2S/c1-16-8-12-20(13-9-16)26(24,25)23(15-18-6-4-3-5-7-18)19-11-10-17(2)21(22)14-19/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide?
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 369.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 46014799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).