3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide

C15H13FN2O2S — CID 26545327

IUPAC3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O2S/c16-14-5-1-3-12(9-14)7-8-18-21(19,20)15-6-2-4-13(10-15)11-17/h1-6,9-10,18H,7-8H2
InChIKeyNMPPCHQCVXXWNG-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.22
Rot. Bonds5

About 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide

3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 26545327) has the molecular formula C15H13FN2O2S and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID26545327
Molecular FormulaC15H13FN2O2S
Molecular Weight304.35 g/mol
Exact Mass304.07
IUPAC Name3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
SMILESN#Cc1cccc(S(=O)(=O)NCCc2cccc(F)c2)c1
InChIInChI=1S/C15H13FN2O2S/c16-14-5-1-3-12(9-14)7-8-18-21(19,20)15-6-2-4-13(10-15)11-17/h1-6,9-10,18H,7-8H2
InChIKeyNMPPCHQCVXXWNG-UHFFFAOYSA-N
XLogP2.22
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide
CID 18097170
3-cyano-N-[2-[4-(difluoromethoxy)phenyl]ethyl]benzenesulfonamide
CID 8815523
3-cyano-N-(2-hydroxyethyl)benzenesulfonamide
CID 43502071
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
3-cyano-N-[(3,4,5-trifluorophenyl)methyl]benzenesulfonamide
CID 3292896
N-[2-(3-fluorophenyl)ethyl]-4-hydrazinylbenzenesulfonamide
CID 43566343
3-cyano-N-(4-hydroxybutyl)benzenesulfonamide
CID 106842266
3-cyano-N-pentylbenzenesulfonamide
CID 3575653
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
N-(cyanomethyl)-3-fluorobenzenesulfonamide
CID 60707704
3-(benzenesulfonamido)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 18118763
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-3-fluorobenzenesulfonamide
CID 6737244

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide (CID 26545327) is 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide is N#Cc1cccc(S(=O)(=O)NCCc2cccc(F)c2)c1.
What is the InChIKey of 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is NMPPCHQCVXXWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2S/c16-14-5-1-3-12(9-14)7-8-18-21(19,20)15-6-2-4-13(10-15)11-17/h1-6,9-10,18H,7-8H2.
What are the key properties of 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide?
3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 304.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-(3-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 26545327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).