3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide

C10H11F3N4O2S2 — CID 122276098

IUPAC3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C10H11F3N4O2S2/c11-10(12,13)2-4-21(18,19)14-5-8-6-17(16-15-8)9-1-3-20-7-9/h1,3,6-7,14H,2,4-5H2
InChIKeyNUAYDCPFUPNJKV-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.70
Rot. Bonds6

About 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide (PubChem CID 122276098) has the molecular formula C10H11F3N4O2S2 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide
PubChem CID122276098
Molecular FormulaC10H11F3N4O2S2
Molecular Weight340.35 g/mol
Exact Mass340.03
IUPAC Name3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide
SMILESO=S(=O)(CCC(F)(F)F)NCc1cn(-c2ccsc2)nn1
InChIInChI=1S/C10H11F3N4O2S2/c11-10(12,13)2-4-21(18,19)14-5-8-6-17(16-15-8)9-1-3-20-7-9/h1,3,6-7,14H,2,4-5H2
InChIKeyNUAYDCPFUPNJKV-UHFFFAOYSA-N
XLogP1.70
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-{[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methyl}-1H-pyrazole-4-sulfonamide
CID 122162236
2,2,2-trifluoroethyl ((1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl)methyl)carbamate
CID 122275901
3,4-difluoro-N-((1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzenesulfonamide
CID 122276028
2,5-difluoro-N-((1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzenesulfonamide
CID 122276029
2,6-difluoro-N-((1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzenesulfonamide
CID 122276030
2,4-difluoro-N-((1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzenesulfonamide
CID 122276067
3,5-difluoro-N-((1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl)methyl)benzenesulfonamide
CID 122276069
(1-Thiophen-3-yltriazol-4-yl)methanamine
CID 119106442
N-[(1-methyltriazol-4-yl)methyl]thiophen-3-amine
CID 66350590
4-amino-N-[2-(triazol-1-yl)ethyl]thiophene-2-sulfonamide
CID 104441975
4-amino-N-[3-(triazol-1-yl)propyl]thiophene-2-sulfonamide
CID 113412369
[1-(thiophen-3-yl)-1H-1,2,3-triazol-4-yl]methanamine dihydrochloride
CID 119106441

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide (CID 122276098) is 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide is O=S(=O)(CCC(F)(F)F)NCc1cn(-c2ccsc2)nn1.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide?
The InChIKey is NUAYDCPFUPNJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O2S2/c11-10(12,13)2-4-21(18,19)14-5-8-6-17(16-15-8)9-1-3-20-7-9/h1,3,6-7,14H,2,4-5H2.
What are the key properties of 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide has a molecular weight of 340.35 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1-thiophen-3-yltriazol-4-yl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 122276098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).