N-benzyl-4-fluoro-N-methylbenzenesulfonamide

C14H14FNO2S — CID 669099

IUPACN-benzyl-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3
InChIKeyTWIKMUQJCJPICO-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.65
Rot. Bonds4

About N-benzyl-4-fluoro-N-methylbenzenesulfonamide

N-benzyl-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 669099) has the molecular formula C14H14FNO2S and a molecular weight of 279.34 g/mol. Its IUPAC name is N-benzyl-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-fluoro-N-methylbenzenesulfonamide
PubChem CID669099
Molecular FormulaC14H14FNO2S
Molecular Weight279.34 g/mol
Exact Mass279.07
IUPAC NameN-benzyl-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H14FNO2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3
InChIKeyTWIKMUQJCJPICO-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

p-Toluenesulfonamide, N-benzyl-
CID 95801
Benzenesulfonamide, N-benzyl-
CID 95236
4-fluoro-N-(4-sulfamoylbenzyl)benzenesulfonamide
CID 788811
N-benzyl-N-ethyl-4-fluorobenzenesulfonamide
CID 668993
1-(Benzenesulfonyl)-4-benzylpiperazine
CID 711024
2-Phenyl-1-phenylsulfonylaziridine
CID 576325
4-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 668799
2-[(4-Fluorophenyl)sulfonyl]-1,2,3,4-tetrahydroisoquinoline
CID 753515
N-(1-Phenylethyl)benzenesulfonamide
CID 99969
1-(4-Methylbenzenesulfonyl)-2-phenylaziridine
CID 576319
2-(4-Fluorophenyl)-1-tosylpyrrolidine
CID 17950211
N-Benzyl-N-isopropyl-4-methyl-benzenesulfonamide
CID 668963

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-fluoro-N-methylbenzenesulfonamide (CID 669099) is N-benzyl-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-fluoro-N-methylbenzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-benzyl-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is TWIKMUQJCJPICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2S/c1-16(11-12-5-3-2-4-6-12)19(17,18)14-9-7-13(15)8-10-14/h2-10H,11H2,1H3.
What are the key properties of N-benzyl-4-fluoro-N-methylbenzenesulfonamide?
N-benzyl-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 279.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 669099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).