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

C12H7F3N2O2S2 — CID 115911312

IUPACN-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H7F3N2O2S2/c13-12(14,15)9-3-4-10(8(6-9)7-16)17-21(18,19)11-2-1-5-20-11/h1-6,17H
InChIKeyNRVYLCJRNOEDKD-UHFFFAOYSA-N
MW332.33 g/mol
LogP3.44
Rot. Bonds3

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

N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 115911312) has the molecular formula C12H7F3N2O2S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID115911312
Molecular FormulaC12H7F3N2O2S2
Molecular Weight332.33 g/mol
Exact Mass331.99
IUPAC NameN-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESN#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1cccs1
InChIInChI=1S/C12H7F3N2O2S2/c13-12(14,15)9-3-4-10(8(6-9)7-16)17-21(18,19)11-2-1-5-20-11/h1-6,17H
InChIKeyNRVYLCJRNOEDKD-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-[2-chloro-5-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 971753
N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 65484375
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]propane-2-sulfonamide
CID 112556194
N-[2-cyano-4-(trifluoromethyl)phenyl]cyclopropanesulfonamide
CID 112556198
N-[2-(2-cyano-4-fluoroanilino)ethyl]thiophene-2-sulfonamide
CID 133397458
3-amino-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911070
3-chloro-N-[2-cyano-4-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 115911470
N-[4-fluoro-2-(thiophen-2-ylsulfonylamino)phenyl]thiophene-2-sulfonamide
CID 70133210
N-(5-tert-butyl-2-hydroxyphenyl)thiophene-2-sulfonamide
CID 43398038
N-[2-cyano-4-(trifluoromethyl)phenyl]acetamide
CID 67798826

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 115911312) is N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is N#Cc1cc(C(F)(F)F)ccc1NS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is NRVYLCJRNOEDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N2O2S2/c13-12(14,15)9-3-4-10(8(6-9)7-16)17-21(18,19)11-2-1-5-20-11/h1-6,17H.
What are the key properties of N-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[2-cyano-4-(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-[2-cyano-4-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 115911312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).