N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide

C14H15F3N4O3S — CID 90615670

IUPACN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccnc1
InChIInChI=1S/C14H15F3N4O3S/c15-14(16,17)13-11-9-24-7-3-12(11)21(20-13)6-5-19-25(22,23)10-2-1-4-18-8-10/h1-2,4,8,19H,3,5-7,9H2
InChIKeyLCIGJXPHNDRSSZ-UHFFFAOYSA-N
MW376.36 g/mol
LogP1.35
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide

N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 90615670) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide
PubChem CID90615670
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC NameN-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccnc1
InChIInChI=1S/C14H15F3N4O3S/c15-14(16,17)13-11-9-24-7-3-12(11)21(20-13)6-5-19-25(22,23)10-2-1-4-18-8-10/h1-2,4,8,19H,3,5-7,9H2
InChIKeyLCIGJXPHNDRSSZ-UHFFFAOYSA-N
XLogP1.35
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide (CID 90615670) is N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCn1nc(C(F)(F)F)c2c1CCOC2)c1cccnc1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is LCIGJXPHNDRSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c15-14(16,17)13-11-9-24-7-3-12(11)21(20-13)6-5-19-25(22,23)10-2-1-4-18-8-10/h1-2,4,8,19H,3,5-7,9H2.
What are the key properties of N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide?
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 376.36 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 90615670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).