N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide

C14H11F3N4O2S2 — CID 22771789

IUPACN-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1cccs1
InChIInChI=1S/C14H11F3N4O2S2/c15-14(16,17)11-4-1-3-10(7-11)8-21-9-18-13(19-21)20-25(22,23)12-5-2-6-24-12/h1-7,9H,8H2,(H,19,20)
InChIKeyHFMRTVPYFDIXID-UHFFFAOYSA-N
MW388.40 g/mol
LogP3.21
Rot. Bonds5

About N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide

N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide (PubChem CID 22771789) has the molecular formula C14H11F3N4O2S2 and a molecular weight of 388.40 g/mol. Its IUPAC name is N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
PubChem CID22771789
Molecular FormulaC14H11F3N4O2S2
Molecular Weight388.40 g/mol
Exact Mass388.03
IUPAC NameN-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1cccs1
InChIInChI=1S/C14H11F3N4O2S2/c15-14(16,17)11-4-1-3-10(7-11)8-21-9-18-13(19-21)20-25(22,23)12-5-2-6-24-12/h1-7,9H,8H2,(H,19,20)
InChIKeyHFMRTVPYFDIXID-UHFFFAOYSA-N
XLogP3.21
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-chlorobenzyl)-1H-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771873
N~2~-[1-(4-Fluorobenzyl)-1H-1,2,4-triazol-3-YL]-2-thiophenesulfonamide
CID 4768432
N~2~-[1-(2-Chloro-4-fluorobenzyl)-1H-1,2,4-triazol-3-YL]-2-thiophenesulfonamide
CID 4768949
4-methyl-N-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}benzenesulfonamide
CID 17376069
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771703
5-chloro-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771704
5-bromo-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide
CID 22771705
2,4-difluoro-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771739
2,5-difluoro-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771741
3,4-difluoro-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771742
N-{1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-yl}benzenesulfonamide
CID 22771762
4-fluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]benzenesulfonamide
CID 22771765

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide (CID 22771789) is N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1cccs1.
What is the InChIKey of N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
The InChIKey is HFMRTVPYFDIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2S2/c15-14(16,17)11-4-1-3-10(7-11)8-21-9-18-13(19-21)20-25(22,23)12-5-2-6-24-12/h1-7,9H,8H2,(H,19,20).
What are the key properties of N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide?
N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide has a molecular weight of 388.40 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 22771789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).