N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C12H7F3N2O2S2 — CID 65484375

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccs2)cc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O2S2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-21(18,19)11-2-1-5-20-11/h1-6,17H
InChIKeyWJIKYRDCESBBEY-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.44
Rot. Bonds3

About N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 65484375) has the molecular formula C12H7F3N2O2S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID65484375
Molecular FormulaC12H7F3N2O2S2
Molecular Weight332.33 g/mol
Exact Mass331.99
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2cccs2)cc1C(F)(F)F
InChIInChI=1S/C12H7F3N2O2S2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-21(18,19)11-2-1-5-20-11/h1-6,17H
InChIKeyWJIKYRDCESBBEY-UHFFFAOYSA-N
XLogP3.44
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 2474123
N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 115911312
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725
N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65483984
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-methylsulfonylmethanesulfonamide
CID 82834936
N-[4-cyano-3-(trifluoromethyl)phenyl]-1-cyclopropylmethanesulfonamide
CID 65484374
3-amino-N-[4-cyano-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 65484346
2-[[4-cyano-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 65483566
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
CID 2360837
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 65484375) is N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2cccs2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is WJIKYRDCESBBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2S2/c13-12(14,15)10-6-9(4-3-8(10)7-16)17-21(18,19)11-2-1-5-20-11/h1-6,17H.
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 332.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 65484375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).