6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide

C14H16F3N5O2S — CID 10215797

IUPAC6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)13-20-12(9-4-2-1-3-5-9)22(21-13)11-7-6-10(8-19-11)25(18,23)24/h6-9H,1-5H2,(H2,18,23,24)
InChIKeyQIPNAARNCRZNQB-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.38
Rot. Bonds3

About 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide

6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide (PubChem CID 10215797) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
PubChem CID10215797
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)13-20-12(9-4-2-1-3-5-9)22(21-13)11-7-6-10(8-19-11)25(18,23)24/h6-9H,1-5H2,(H2,18,23,24)
InChIKeyQIPNAARNCRZNQB-UHFFFAOYSA-N
XLogP2.38
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide (CID 10215797) is 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)nc2C2CCCCC2)nc1.
What is the InChIKey of 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is QIPNAARNCRZNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c15-14(16,17)13-20-12(9-4-2-1-3-5-9)22(21-13)11-7-6-10(8-19-11)25(18,23)24/h6-9H,1-5H2,(H2,18,23,24).
What are the key properties of 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 375.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10215797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).