N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide

C14H10F2N2O2S — CID 154748898

IUPACN-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)Cc2cccc(F)c2)ccc1F
InChIInChI=1S/C14H10F2N2O2S/c15-12-3-1-2-10(6-12)9-21(19,20)18-13-4-5-14(16)11(7-13)8-17/h1-7,18H,9H2
InChIKeyOELQMAWWPXLOQE-UHFFFAOYSA-N
MW308.31 g/mol
LogP2.78
Rot. Bonds4

About N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide

N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide (PubChem CID 154748898) has the molecular formula C14H10F2N2O2S and a molecular weight of 308.31 g/mol. Its IUPAC name is N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide
PubChem CID154748898
Molecular FormulaC14H10F2N2O2S
Molecular Weight308.31 g/mol
Exact Mass308.04
IUPAC NameN-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)Cc2cccc(F)c2)ccc1F
InChIInChI=1S/C14H10F2N2O2S/c15-12-3-1-2-10(6-12)9-21(19,20)18-13-4-5-14(16)11(7-13)8-17/h1-7,18H,9H2
InChIKeyOELQMAWWPXLOQE-UHFFFAOYSA-N
XLogP2.78
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-bromo-N-(3-cyano-4-fluorophenyl)methanesulfonamide
CID 83093556
N-(3-cyano-4-fluorophenyl)-1,1-difluoromethanesulfonamide
CID 62315969
N-(3-cyano-4-fluorophenyl)propane-2-sulfonamide
CID 62317570
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
N-(3-cyano-4-fluorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62317386
1-(3-fluorophenyl)-N-(1-methyl-2-oxo-3H-indol-5-yl)methanesulfonamide
CID 41342516
3-[(4-fluorophenyl)sulfamoylmethyl]benzoic acid
CID 43362487
N-(4-amino-3-methylphenyl)-1-(3-cyanophenyl)methanesulfonamide
CID 43604837
2-fluoro-5-[[2-(3-fluorophenyl)ethylamino]methyl]benzonitrile
CID 107880070
N-(4-cyanophenyl)-1-phenylmethanesulfonamide
CID 798666
N-[3-[4-(4-cyanophenyl)piperidine-1-carbonyl]-4-methylphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 25152126
1-(3-aminophenyl)-N-(4-chlorophenyl)methanesulfonamide
CID 43255960

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide (CID 154748898) is N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide is N#Cc1cc(NS(=O)(=O)Cc2cccc(F)c2)ccc1F.
What is the InChIKey of N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide?
The InChIKey is OELQMAWWPXLOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O2S/c15-12-3-1-2-10(6-12)9-21(19,20)18-13-4-5-14(16)11(7-13)8-17/h1-7,18H,9H2.
What are the key properties of N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide?
N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide has a molecular weight of 308.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-fluorophenyl)-1-(3-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 154748898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).