2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine

C6H10F3N5O2S — CID 114810152

IUPAC2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine
SMILESO=S(=O)(NCCc1ncn[nH]1)NCC(F)(F)F
InChIInChI=1S/C6H10F3N5O2S/c7-6(8,9)3-13-17(15,16)12-2-1-5-10-4-11-14-5/h4,12-13H,1-3H2,(H,10,11,14)
InChIKeyIYWSDUKXPAOEOH-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.67
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine

2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine (PubChem CID 114810152) has the molecular formula C6H10F3N5O2S and a molecular weight of 273.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine
PubChem CID114810152
Molecular FormulaC6H10F3N5O2S
Molecular Weight273.24 g/mol
Exact Mass273.05
IUPAC Name2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine
SMILESO=S(=O)(NCCc1ncn[nH]1)NCC(F)(F)F
InChIInChI=1S/C6H10F3N5O2S/c7-6(8,9)3-13-17(15,16)12-2-1-5-10-4-11-14-5/h4,12-13H,1-3H2,(H,10,11,14)
InChIKeyIYWSDUKXPAOEOH-UHFFFAOYSA-N
XLogP-0.67
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 79579464
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532031
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 64531508
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-1-sulfonamide
CID 64530904
2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanesulfonamide
CID 64532096
2-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]propanoic acid
CID 64547817
5-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]-1,3-thiazole-4-carboxylic acid
CID 113392058
2-amino-4-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518578
2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103760446
1-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]methanesulfonamide
CID 64523562

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine (CID 114810152) is 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine is O=S(=O)(NCCc1ncn[nH]1)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine?
The InChIKey is IYWSDUKXPAOEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N5O2S/c7-6(8,9)3-13-17(15,16)12-2-1-5-10-4-11-14-5/h4,12-13H,1-3H2,(H,10,11,14).
What are the key properties of 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine?
2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine has a molecular weight of 273.24 g/mol, XLogP of -0.67, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]ethanamine is sourced from PubChem (CID 114810152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).