1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide

C15H12ClFN2O2S — CID 99794707

IUPAC1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H12ClFN2O2S/c16-14-6-3-12(9-15(14)17)10-22(20,21)19-13-4-1-11(2-5-13)7-8-18/h1-6,9,19H,7,10H2
InChIKeyIXFUDWVBENAUJR-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide

1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide (PubChem CID 99794707) has the molecular formula C15H12ClFN2O2S and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
PubChem CID99794707
Molecular FormulaC15H12ClFN2O2S
Molecular Weight338.79 g/mol
Exact Mass338.03
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide
SMILESN#CCc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1
InChIInChI=1S/C15H12ClFN2O2S/c16-14-6-3-12(9-15(14)17)10-22(20,21)19-13-4-1-11(2-5-13)7-8-18/h1-6,9,19H,7,10H2
InChIKeyIXFUDWVBENAUJR-UHFFFAOYSA-N
XLogP3.49
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 3841445
N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 3668419
2-chloro-N-[4-(cyanomethyl)phenyl]ethanesulfonamide
CID 107651425
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
3-bromo-4-chloro-N-[4-(cyanomethyl)phenyl]benzenesulfonamide
CID 106605805
1-(3,4-dichlorophenyl)-N-(4-methylphenyl)methanesulfonamide
CID 134052267
N-[4-(cyanomethyl)-2-fluorophenyl]methanesulfonamide
CID 91179727
1-(4-chloro-3-fluorophenyl)-N-(2,4,5-trimethylpyrazol-3-yl)methanesulfonamide
CID 154739287
1-(4-aminophenyl)-N-(4-chloro-3-cyanophenyl)methanesulfonamide
CID 61107710
2-[4-(ethylsulfamoylamino)phenyl]acetonitrile
CID 114807814
2-[4-fluoro-3-(2,3,4,5,6-pentachlorophenyl)phenyl]acetonitrile
CID 134631147
2-(3-fluoro-4-methylsulfonylphenyl)acetonitrile
CID 84782700

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide (CID 99794707) is 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide is N#CCc1ccc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)cc1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide?
The InChIKey is IXFUDWVBENAUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O2S/c16-14-6-3-12(9-15(14)17)10-22(20,21)19-13-4-1-11(2-5-13)7-8-18/h1-6,9,19H,7,10H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide?
1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide has a molecular weight of 338.79 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-[4-(cyanomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 99794707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).