4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide

C15H13FN2O2S — CID 61062784

IUPAC4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13FN2O2S/c1-2-18(14-5-3-4-13(16)10-14)21(19,20)15-8-6-12(11-17)7-9-15/h3-10H,2H2,1H3
InChIKeyYRPBVOSSZINYFD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.91
Rot. Bonds4

About 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide

4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide (PubChem CID 61062784) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
PubChem CID61062784
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide
SMILESCCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1
InChIInChI=1S/C15H13FN2O2S/c1-2-18(14-5-3-4-13(16)10-14)21(19,20)15-8-6-12(11-17)7-9-15/h3-10H,2H2,1H3
InChIKeyYRPBVOSSZINYFD-UHFFFAOYSA-N
XLogP2.91
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63229929
N-(3-bromophenyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 100502316
3-cyano-N-ethyl-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103223799
1-[ethyl(sulfamoyl)amino]-3-fluorobenzene
CID 112686124
(4-cyanophenyl) 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 2710043
N-benzyl-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021763
N-[(3,5-dimethoxyphenyl)methyl]-4-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 46021868
N-[4-(aminomethyl)phenyl]-N-ethyl-3-fluorobenzenesulfonamide
CID 43275766
3-chloro-4-(N-ethyl-3-fluoroanilino)benzonitrile
CID 63510151
4-N-ethyl-1-N,1-N-dimethyl-4-N-phenylbenzene-1,4-disulfonamide
CID 26951667
4-ethoxy-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 99695461
N-ethyl-N-(3-methylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3835730

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide (CID 61062784) is 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide is CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(C#N)cc1.
What is the InChIKey of 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide?
The InChIKey is YRPBVOSSZINYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c1-2-18(14-5-3-4-13(16)10-14)21(19,20)15-8-6-12(11-17)7-9-15/h3-10H,2H2,1H3.
What are the key properties of 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide?
4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-ethyl-N-(3-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 61062784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).