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

C14H15F2N3O3S — CID 90615329

IUPACN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCn1ncc2c1CCOC2)c1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O3S/c15-11-1-2-12(16)14(7-11)23(20,21)18-4-5-19-13-3-6-22-9-10(13)8-17-19/h1-2,7-8,18H,3-6,9H2
InChIKeyPGTCIOMWLGEXPS-UHFFFAOYSA-N
MW343.36 g/mol
LogP1.21
Rot. Bonds5

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

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide (PubChem CID 90615329) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide
PubChem CID90615329
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCCn1ncc2c1CCOC2)c1cc(F)ccc1F
InChIInChI=1S/C14H15F2N3O3S/c15-11-1-2-12(16)14(7-11)23(20,21)18-4-5-19-13-3-6-22-9-10(13)8-17-19/h1-2,7-8,18H,3-6,9H2
InChIKeyPGTCIOMWLGEXPS-UHFFFAOYSA-N
XLogP1.21
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-nitrobenzenesulfonamide
CID 90615344
1-(3,5-difluorophenyl)-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]methanesulfonamide
CID 90615392
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 90615373
3-chloro-N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-4-methoxybenzenesulfonamide
CID 90615376
3-fluoro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzenesulfonamide
CID 90613926
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
CID 90615451
1-[(4-chlorophenyl)methyl]-3-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]urea
CID 90615429
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 42267664
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 90615127
1-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-3-phenylurea
CID 90615402
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 90615276
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide (CID 90615329) is N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NCCn1ncc2c1CCOC2)c1cc(F)ccc1F.
What is the InChIKey of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is PGTCIOMWLGEXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c15-11-1-2-12(16)14(7-11)23(20,21)18-4-5-19-13-3-6-22-9-10(13)8-17-19/h1-2,7-8,18H,3-6,9H2.
What are the key properties of N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide?
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 90615329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).