N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide

C17H13F3N2O2S — CID 68619529

IUPACN-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)13-3-1-11(2-4-13)16-8-5-14(9-12(16)10-21)22-25(23,24)15-6-7-15/h1-5,8-9,15,22H,6-7H2
InChIKeyFXRNKZGHNAWFPN-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.15
Rot. Bonds4

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

N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide (PubChem CID 68619529) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide
PubChem CID68619529
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC NameN-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide
SMILESN#Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)13-3-1-11(2-4-13)16-8-5-14(9-12(16)10-21)22-25(23,24)15-6-7-15/h1-5,8-9,15,22H,6-7H2
InChIKeyFXRNKZGHNAWFPN-UHFFFAOYSA-N
XLogP4.15
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
2-chloro-4-(sulfamoylamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 11428075
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 65484374
N-(3-chlorophenyl)cyclopropanesulfonamide
CID 45497298
N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
CID 81198712
2-(4-tert-butylphenyl)-4-(trifluoromethyl)benzonitrile
CID 58873357
3-(cyclopropylsulfonylamino)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 166186395
1-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]methanesulfonamide
CID 112556251
2-(3-fluorophenyl)-5-(trifluoromethyl)benzonitrile
CID 46313217
N-[2-cyano-4-(4-phenoxyphenyl)phenyl]cyclopropanesulfonamide
CID 59313645
2-[2,7-bis[2-cyano-4-(trifluoromethyl)phenyl]-10-(dicyanomethylidene)-4b,9b-dihydroindeno[2,1-a]inden-5-ylidene]propanedinitrile
CID 138572724
N-(2-cyano-4-fluorophenyl)cyclohexanesulfonamide
CID 82015241

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide (CID 68619529) is N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide is N#Cc1cc(NS(=O)(=O)C2CC2)ccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide?
The InChIKey is FXRNKZGHNAWFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)13-3-1-11(2-4-13)16-8-5-14(9-12(16)10-21)22-25(23,24)15-6-7-15/h1-5,8-9,15,22H,6-7H2.
What are the key properties of N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide?
N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide has a molecular weight of 366.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-4-[4-(trifluoromethyl)phenyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 68619529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).