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

C12H7F6NO2S2 — CID 2474123

IUPACN-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H7F6NO2S2/c13-11(14,15)8-4-3-7(6-9(8)12(16,17)18)19-23(20,21)10-2-1-5-22-10/h1-6,19H
InChIKeyVGKJSDFOUDFDNV-UHFFFAOYSA-N
MW375.32 g/mol
LogP4.59
Rot. Bonds3

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

N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 2474123) has the molecular formula C12H7F6NO2S2 and a molecular weight of 375.32 g/mol. Its IUPAC name is N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID2474123
Molecular FormulaC12H7F6NO2S2
Molecular Weight375.32 g/mol
Exact Mass374.98
IUPAC NameN-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1cccs1
InChIInChI=1S/C12H7F6NO2S2/c13-11(14,15)8-4-3-7(6-9(8)12(16,17)18)19-23(20,21)10-2-1-5-22-10/h1-6,19H
InChIKeyVGKJSDFOUDFDNV-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-cyano-3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
CID 65484375
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 55490725
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]thiophene-2-sulfonamide
CID 2360837
N-(1,3-benzodioxol-5-yl)thiophene-2-sulfonamide
CID 651313
N-(3-hydroxy-4-methylphenyl)thiophene-2-sulfonamide
CID 3790087
N-(4-bromo-3-chlorophenyl)thiophene-2-sulfonamide
CID 2207523
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
N-[4-(1-hydroxyethyl)phenyl]thiophene-2-sulfonamide
CID 43416696
2-bromo-4-(thiophen-2-ylsulfonylamino)benzenesulfonyl chloride
CID 16773980
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268
N-(2-aminoquinazolin-6-yl)thiophene-2-sulfonamide;hydrochloride
CID 155537094
N-(3-fluoro-4-propan-2-yloxyphenyl)thiophene-2-sulfonamide
CID 110777493

Frequently Asked Questions

What is the IUPAC name of N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 2474123) is N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is VGKJSDFOUDFDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F6NO2S2/c13-11(14,15)8-4-3-7(6-9(8)12(16,17)18)19-23(20,21)10-2-1-5-22-10/h1-6,19H.
What are the key properties of N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 375.32 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-bis(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 2474123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).