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

C11H11F3N2O2S — CID 65483984

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2S/c1-2-5-19(17,18)16-9-4-3-8(7-15)10(6-9)11(12,13)14/h3-4,6,16H,2,5H2,1H3
InChIKeyUEOBHJFSCWIUNL-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.73
Rot. Bonds4

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

N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (PubChem CID 65483984) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
PubChem CID65483984
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O2S/c1-2-5-19(17,18)16-9-4-3-8(7-15)10(6-9)11(12,13)14/h3-4,6,16H,2,5H2,1H3
InChIKeyUEOBHJFSCWIUNL-UHFFFAOYSA-N
XLogP2.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65484346
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylsulfonylmethanesulfonamide
CID 82834936
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 65484374
4-(pentylamino)-2-(trifluoromethyl)benzonitrile
CID 43138516
2-[[4-cyano-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 65483566
4-(3,3-dimethylbutylamino)-2-(trifluoromethyl)benzonitrile
CID 65483961
N-[4-chloro-3-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 22201682
4-[[(2S)-butan-2-yl]amino]-2-(trifluoromethyl)benzonitrile
CID 69236124
N-[4-methyl-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 60705439
2-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]butanamide
CID 65483963
N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 65484375
4-(hydroxyamino)-2-(trifluoromethyl)benzonitrile
CID 59235207

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide (CID 65483984) is N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
The InChIKey is UEOBHJFSCWIUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-2-5-19(17,18)16-9-4-3-8(7-15)10(6-9)11(12,13)14/h3-4,6,16H,2,5H2,1H3.
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide has a molecular weight of 292.28 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]propane-1-sulfonamide is sourced from PubChem (CID 65483984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).