N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide

C14H11FN2O2S — CID 3876114

IUPACN-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H11FN2O2S/c15-12-6-8-13(9-7-12)20(18,19)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
InChIKeyBMNRBDXDKQZMGY-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.37
Rot. Bonds4

About N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide

N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 3876114) has the molecular formula C14H11FN2O2S and a molecular weight of 290.32 g/mol. Its IUPAC name is N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
PubChem CID3876114
Molecular FormulaC14H11FN2O2S
Molecular Weight290.32 g/mol
Exact Mass290.05
IUPAC NameN-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide
SMILESN#CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C14H11FN2O2S/c15-12-6-8-13(9-7-12)20(18,19)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H
InChIKeyBMNRBDXDKQZMGY-UHFFFAOYSA-N
XLogP2.37
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589
N-[cyano(phenyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3869627
3-bromo-4-chloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 106605787
N-[1-(4-fluorophenyl)-3-phenylprop-2-ynyl]-4-methylbenzenesulfonamide
CID 23649829
N-[cyano(phenyl)methyl]thiophene-2-sulfonamide
CID 3833145
N-[(4-bromophenyl)-cyanomethyl]-4-methylbenzenesulfonamide
CID 53465731
2,5-dichloro-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707601
2,5-dibromo-N-[cyano(phenyl)methyl]benzenesulfonamide
CID 60707648
N-[cyano-(4-methylphenyl)methyl]-4-methoxybenzenesulfonamide
CID 110664230
N-[cyano-(4-nitrophenyl)methyl]-4-methylbenzenesulfonamide
CID 44521252
4-fluoro-N-[1-(4-phenylphenyl)ethyl]benzenesulfonamide
CID 171777388
N-[cyano-(3-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 71417579

Frequently Asked Questions

What is the IUPAC name of N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide (CID 3876114) is N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide is N#CC(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is BMNRBDXDKQZMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O2S/c15-12-6-8-13(9-7-12)20(18,19)17-14(10-16)11-4-2-1-3-5-11/h1-9,14,17H.
What are the key properties of N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide?
N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(phenyl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3876114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).