N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide

C10H11FN2O2S — CID 90346738

IUPACN-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide
SMILESCCc1cc(F)c(NS(C)(=O)=O)c(C#N)c1
InChIInChI=1S/C10H11FN2O2S/c1-3-7-4-8(6-12)10(9(11)5-7)13-16(2,14)15/h4-5,13H,3H2,1-2H3
InChIKeyFFLWVFLGKFUOOT-UHFFFAOYSA-N
MW242.27 g/mol
LogP1.63
Rot. Bonds3

About N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide

N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide (PubChem CID 90346738) has the molecular formula C10H11FN2O2S and a molecular weight of 242.27 g/mol. Its IUPAC name is N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide
PubChem CID90346738
Molecular FormulaC10H11FN2O2S
Molecular Weight242.27 g/mol
Exact Mass242.05
IUPAC NameN-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide
SMILESCCc1cc(F)c(NS(C)(=O)=O)c(C#N)c1
InChIInChI=1S/C10H11FN2O2S/c1-3-7-4-8(6-12)10(9(11)5-7)13-16(2,14)15/h4-5,13H,3H2,1-2H3
InChIKeyFFLWVFLGKFUOOT-UHFFFAOYSA-N
XLogP1.63
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyano-2-fluoro-6-iodophenyl)methanesulfonamide
CID 67244741
ethyl 2-(2-cyano-4-ethyl-6-fluorophenyl)acetate
CID 134654764
N-[4-(cyanomethyl)-2-fluorophenyl]methanesulfonamide
CID 91179727
(Z)-3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]prop-2-enamide
CID 68783908
(E)-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2-methoxyethoxy)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 59598215
N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 68782231
2-cyano-4-ethyl-6-methylbenzenesulfonyl chloride
CID 131405476
(Z)-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(2-methoxyethylamino)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 68781726
N-[2-[(3-cyano-4-fluorophenyl)methylamino]ethyl]methanesulfonamide
CID 107880066
(E)-N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-(3-methylbutoxy)-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 24992512
methyl 3-cyano-2-(difluoromethyl)-5-ethylbenzoate
CID 134613776
2-(chloromethyl)-6-cyano-4-ethylbenzenesulfonyl chloride
CID 131604259

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide (CID 90346738) is N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide is CCc1cc(F)c(NS(C)(=O)=O)c(C#N)c1.
What is the InChIKey of N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide?
The InChIKey is FFLWVFLGKFUOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2S/c1-3-7-4-8(6-12)10(9(11)5-7)13-16(2,14)15/h4-5,13H,3H2,1-2H3.
What are the key properties of N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide?
N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide has a molecular weight of 242.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-ethyl-6-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 90346738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).