N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide

C21H17FN2O2S — CID 2695392

IUPACN-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
SMILESN#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H17FN2O2S/c22-20-12-6-7-13-21(20)27(25,26)24(15-17-8-2-1-3-9-17)16-19-11-5-4-10-18(19)14-23/h1-13H,15-16H2
InChIKeyQVZXQWUEXFUBRM-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.09
Rot. Bonds6

About N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide

N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide (PubChem CID 2695392) has the molecular formula C21H17FN2O2S and a molecular weight of 380.44 g/mol. Its IUPAC name is N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
PubChem CID2695392
Molecular FormulaC21H17FN2O2S
Molecular Weight380.44 g/mol
Exact Mass380.10
IUPAC NameN-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide
SMILESN#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C21H17FN2O2S/c22-20-12-6-7-13-21(20)27(25,26)24(15-17-8-2-1-3-9-17)16-19-11-5-4-10-18(19)14-23/h1-13H,15-16H2
InChIKeyQVZXQWUEXFUBRM-UHFFFAOYSA-N
XLogP4.09
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3,4-dichloro-N-[(2-cyanophenyl)methyl]benzenesulfonamide
CID 2695360
N-benzyl-N-(2-chloroethyl)-2-fluorobenzenesulfonamide
CID 63396541
2-fluoro-3-[(2-fluorophenyl)sulfonylmethyl]benzonitrile
CID 107119999
N-benzyl-1-(2-cyanophenyl)-N-methylmethanesulfonamide
CID 29299050
N-benzyl-2-fluoro-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]benzenesulfonamide
CID 2695394
2-[carboxymethyl-(2-cyanophenyl)sulfonylamino]acetic acid
CID 63646594
N-benzyl-2-fluoro-N-(2-hydroxy-3-phenylmethoxypropyl)benzenesulfonamide
CID 101497565
2-cyano-N,N-bis(thiophen-2-ylmethyl)benzenesulfonamide
CID 8801780
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
N-benzyl-2-fluoro-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1164875
2-cyano-N-(2-phenylethyl)-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9302359
4-[[(2-fluorophenyl)methyl-(2,3,4,5-tetrafluorophenyl)sulfonylamino]methyl]-N-hydroxybenzamide
CID 155155872

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide?
The IUPAC name of N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide (CID 2695392) is N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide?
The canonical SMILES for N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide is N#Cc1ccccc1CN(Cc1ccccc1)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide?
The InChIKey is QVZXQWUEXFUBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2S/c22-20-12-6-7-13-21(20)27(25,26)24(15-17-8-2-1-3-9-17)16-19-11-5-4-10-18(19)14-23/h1-13H,15-16H2.
What are the key properties of N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide?
N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide has a molecular weight of 380.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(2-cyanophenyl)methyl]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 2695392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).