1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide

C15H17F2N3O3S — CID 90615392

IUPAC1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NCCn1ncc2c1CCOC2
InChIInChI=1S/C15H17F2N3O3S/c16-13-5-11(6-14(17)7-13)10-24(21,22)19-2-3-20-15-1-4-23-9-12(15)8-18-20/h5-8,19H,1-4,9-10H2
InChIKeyBGHOPNUBWOPSTA-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.35
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide

1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide (PubChem CID 90615392) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
PubChem CID90615392
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC Name1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)cc(F)c1)NCCn1ncc2c1CCOC2
InChIInChI=1S/C15H17F2N3O3S/c16-13-5-11(6-14(17)7-13)10-24(21,22)19-2-3-20-15-1-4-23-9-12(15)8-18-20/h5-8,19H,1-4,9-10H2
InChIKeyBGHOPNUBWOPSTA-UHFFFAOYSA-N
XLogP1.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
The IUPAC name of 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide (CID 90615392) is 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide is O=S(=O)(Cc1cc(F)cc(F)c1)NCCn1ncc2c1CCOC2.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
The InChIKey is BGHOPNUBWOPSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c16-13-5-11(6-14(17)7-13)10-24(21,22)19-2-3-20-15-1-4-23-9-12(15)8-18-20/h5-8,19H,1-4,9-10H2.
What are the key properties of 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide?
1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 90615392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).