N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

C12H17F3N4O3S — CID 132971907

IUPACN-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC(CNC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O
InChIInChI=1S/C12H17F3N4O3S/c1-6(23(16,21)22)5-17-11(20)7-2-3-9-8(4-7)10(19-18-9)12(13,14)15/h6-7H,2-5H2,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyOHCXIOKUNHNOIJ-UHFFFAOYSA-N
MW354.35 g/mol
LogP0.33
Rot. Bonds4

About N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide

N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (PubChem CID 132971907) has the molecular formula C12H17F3N4O3S and a molecular weight of 354.35 g/mol. Its IUPAC name is N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
PubChem CID132971907
Molecular FormulaC12H17F3N4O3S
Molecular Weight354.35 g/mol
Exact Mass354.10
IUPAC NameN-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide
SMILESCC(CNC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O
InChIInChI=1S/C12H17F3N4O3S/c1-6(23(16,21)22)5-17-11(20)7-2-3-9-8(4-7)10(19-18-9)12(13,14)15/h6-7H,2-5H2,1H3,(H,17,20)(H,18,19)(H2,16,21,22)
InChIKeyOHCXIOKUNHNOIJ-UHFFFAOYSA-N
XLogP0.33
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The IUPAC name of N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide (CID 132971907) is N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The canonical SMILES for N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is CC(CNC(=O)C1CCc2[nH]nc(C(F)(F)F)c2C1)S(N)(=O)=O.
What is the InChIKey of N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
The InChIKey is OHCXIOKUNHNOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O3S/c1-6(23(16,21)22)5-17-11(20)7-2-3-9-8(4-7)10(19-18-9)12(13,14)15/h6-7H,2-5H2,1H3,(H,17,20)(H,18,19)(H2,16,21,22).
What are the key properties of N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide?
N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide has a molecular weight of 354.35 g/mol, XLogP of 0.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylpropyl)-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxamide is sourced from PubChem (CID 132971907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).