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

C11H11F3N2O2S — CID 112556194

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

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

N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide (PubChem CID 112556194) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
PubChem CID112556194
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1C#N
InChIInChI=1S/C11H11F3N2O2S/c1-7(2)19(17,18)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-5,7,16H,1-2H3
InChIKeyCYNVBAUCEBFQPN-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-cyano-4-(trifluoromethyl)phenyl]ethanesulfonamide
CID 112556193
1-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]methanesulfonamide
CID 112556251
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
2-(propan-2-ylsulfonylamino)-5-(trifluoromethyl)benzoic acid
CID 66269364
N-[4-cyano-2-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 64591216
3-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911470
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826
N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 115911312
3-[2-cyano-4-(trifluoromethyl)anilino]-2-methyl-3-oxopropanoic acid
CID 114898911
methyl 2-[2-cyano-4-(trifluoromethyl)anilino]propanoate
CID 61497788
3-[2-cyano-4-(trifluoromethyl)anilino]-2-methylbutanoic acid
CID 115911108

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide (CID 112556194) is N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide is CC(C)S(=O)(=O)Nc1ccc(C(F)(F)F)cc1C#N.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
The InChIKey is CYNVBAUCEBFQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-7(2)19(17,18)16-10-4-3-9(11(12,13)14)5-8(10)6-15/h3-5,7,16H,1-2H3.
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide?
N-[2-cyano-4-(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-[2-cyano-4-(trifluoromethyl)phenyl]propane-2-sulfonamide is sourced from PubChem (CID 112556194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).