2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide

C15H17F2N3O3S — CID 90622414

IUPAC2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O3S/c16-12-1-2-15(14(17)7-12)24(21,22)19-13-8-18-20(10-13)9-11-3-5-23-6-4-11/h1-2,7-8,10-11,19H,3-6,9H2
InChIKeyCMRYPPBFVFZMRF-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.39
Rot. Bonds5

About 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide

2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 90622414) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
PubChem CID90622414
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC Name2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)cc1F
InChIInChI=1S/C15H17F2N3O3S/c16-12-1-2-15(14(17)7-12)24(21,22)19-13-8-18-20(10-13)9-11-3-5-23-6-4-11/h1-2,7-8,10-11,19H,3-6,9H2
InChIKeyCMRYPPBFVFZMRF-UHFFFAOYSA-N
XLogP2.39
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide (CID 90622414) is 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(CC2CCOCC2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is CMRYPPBFVFZMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c16-12-1-2-15(14(17)7-12)24(21,22)19-13-8-18-20(10-13)9-11-3-5-23-6-4-11/h1-2,7-8,10-11,19H,3-6,9H2.
What are the key properties of 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide?
2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 90622414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).