N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide

C11H13FN2O2S — CID 82015245

IUPACN-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H13FN2O2S/c1-8(2)7-17(15,16)14-11-4-3-10(12)5-9(11)6-13/h3-5,8,14H,7H2,1-2H3
InChIKeyANKICHKIAVAJIZ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.10
Rot. Bonds4

About N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide

N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 82015245) has the molecular formula C11H13FN2O2S and a molecular weight of 256.30 g/mol. Its IUPAC name is N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide
PubChem CID82015245
Molecular FormulaC11H13FN2O2S
Molecular Weight256.30 g/mol
Exact Mass256.07
IUPAC NameN-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(F)cc1C#N
InChIInChI=1S/C11H13FN2O2S/c1-8(2)7-17(15,16)14-11-4-3-10(12)5-9(11)6-13/h3-5,8,14H,7H2,1-2H3
InChIKeyANKICHKIAVAJIZ-UHFFFAOYSA-N
XLogP2.10
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-4-fluorophenyl)-2-ethoxyethanesulfonamide
CID 82016327
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5-fluoro-2-(2-methoxyethylsulfamoylamino)benzonitrile
CID 114815174
N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 64786303
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540
N-[2-(2-cyano-4-fluoroanilino)ethyl]methanesulfonamide
CID 63674799
N-(2-cyano-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 82015576
N-[4-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-3-methylbutane-1-sulfonamide
CID 63856972
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241
5-fluoro-2-(2-methylsulfinylpropylamino)benzonitrile
CID 115764275
N-[2-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
3-(2-cyano-4-fluoroanilino)butanamide
CID 115684999

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide (CID 82015245) is N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ccc(F)cc1C#N.
What is the InChIKey of N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is ANKICHKIAVAJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2S/c1-8(2)7-17(15,16)14-11-4-3-10(12)5-9(11)6-13/h3-5,8,14H,7H2,1-2H3.
What are the key properties of N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide?
N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 256.30 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4-fluorophenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 82015245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).