N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C12H19F3N4O2S — CID 120711166

IUPACN-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C12H19F3N4O2S/c13-12(14,15)8-19-7-10(6-17-19)22(20,21)18-11-4-2-1-3-9(11)5-16/h6-7,9,11,18H,1-5,8,16H2
InChIKeyCYOVCMBOCSLQCO-UHFFFAOYSA-N
MW340.37 g/mol
LogP1.24
Rot. Bonds5

About N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 120711166) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID120711166
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESNCC1CCCCC1NS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C12H19F3N4O2S/c13-12(14,15)8-19-7-10(6-17-19)22(20,21)18-11-4-2-1-3-9(11)5-16/h6-7,9,11,18H,1-5,8,16H2
InChIKeyCYOVCMBOCSLQCO-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 120711166) is N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is NCC1CCCCC1NS(=O)(=O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is CYOVCMBOCSLQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c13-12(14,15)8-19-7-10(6-17-19)22(20,21)18-11-4-2-1-3-9(11)5-16/h6-7,9,11,18H,1-5,8,16H2.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 340.37 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120711166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).