N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide

C12H11F3N2O2S — CID 65484374

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2CC2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S/c13-12(14,15)11-5-10(4-3-9(11)6-16)17-20(18,19)7-8-1-2-8/h3-5,8,17H,1-2,7H2
InChIKeyLAPVDYAKIKGQHR-UHFFFAOYSA-N
MW304.29 g/mol
LogP2.73
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide

N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide (PubChem CID 65484374) has the molecular formula C12H11F3N2O2S and a molecular weight of 304.29 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
PubChem CID65484374
Molecular FormulaC12H11F3N2O2S
Molecular Weight304.29 g/mol
Exact Mass304.05
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)CC2CC2)cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2O2S/c13-12(14,15)11-5-10(4-3-9(11)6-16)17-20(18,19)7-8-1-2-8/h3-5,8,17H,1-2,7H2
InChIKeyLAPVDYAKIKGQHR-UHFFFAOYSA-N
XLogP2.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(3,4-dicyanophenyl)methanesulfonamide
CID 114002396
N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65483984
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylsulfonylmethanesulfonamide
CID 82834936
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65484346
4-(cyclopropylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 11481851
4-(3-cyclopropylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 115637530
4-(3-cyclopentylpropylamino)-2-(trifluoromethyl)benzonitrile
CID 106011514
2-[[4-cyano-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 65483566
N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 65484375
4-(3,3-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 65483961
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207
4-(thian-4-ylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 115625277

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide (CID 65484374) is N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide is N#Cc1ccc(NS(=O)(=O)CC2CC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is LAPVDYAKIKGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2S/c13-12(14,15)11-5-10(4-3-9(11)6-16)17-20(18,19)7-8-1-2-8/h3-5,8,17H,1-2,7H2.
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 304.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 65484374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).