N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide

C11H11F3N2O2S — CID 64591216

IUPACN-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c1-7(2)19(17,18)16-10-4-3-8(6-15)5-9(10)11(12,13)14/h3-5,7,16H,1-2H3
InChIKeyCGQKLCZDKIPACX-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.73
Rot. Bonds3

About N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide

N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide (PubChem CID 64591216) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
PubChem CID64591216
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C#N)cc1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c1-7(2)19(17,18)16-10-4-3-8(6-15)5-9(10)11(12,13)14/h3-5,7,16H,1-2H3
InChIKeyCGQKLCZDKIPACX-UHFFFAOYSA-N
XLogP2.73
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-(2-bromo-4-cyanophenyl)propane-2-sulfonamide
CID 64593313
N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 112556194
N-[4-cyano-2-(trifluoromethyl)phenyl]formamide
CID 64992328
4-chloro-N-[4-cyano-2-(trifluoromethyl)phenyl]butane-1-sulfonamide
CID 116815082
N-[4-cyano-2-(trifluoromethyl)phenyl]-2-(methylamino)propanamide
CID 62637842
4-(ethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687096
4-(octan-2-ylamino)-3-(trifluoromethyl)benzonitrile
CID 43687065
4-(1-pyridin-4-ylethylamino)-3-(trifluoromethyl)benzonitrile
CID 43687076
N-[4-cyano-2-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79192157
N-[4-cyano-2-(trifluoromethyl)phenyl]propanamide
CID 60705592
4-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80543421
2-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 76888025

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide (CID 64591216) is N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(C#N)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The InChIKey is CGQKLCZDKIPACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-7(2)19(17,18)16-10-4-3-8(6-15)5-9(10)11(12,13)14/h3-5,7,16H,1-2H3.
What are the key properties of N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide?
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide has a molecular weight of 292.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 64591216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).