3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C14H15F2N3O3S — CID 71810311

IUPAC3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O3S/c15-13-2-1-12(7-14(13)16)23(20,21)18-10-8-17-19(9-10)11-3-5-22-6-4-11/h1-2,7-9,11,18H,3-6H2
InChIKeyMJVGDAFDGPDPPX-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.31
Rot. Bonds4

About 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810311) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810311
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC Name3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H15F2N3O3S/c15-13-2-1-12(7-14(13)16)23(20,21)18-10-8-17-19(9-10)11-3-5-22-6-4-11/h1-2,7-9,11,18H,3-6H2
InChIKeyMJVGDAFDGPDPPX-UHFFFAOYSA-N
XLogP2.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810311) is 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MJVGDAFDGPDPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c15-13-2-1-12(7-14(13)16)23(20,21)18-10-8-17-19(9-10)11-3-5-22-6-4-11/h1-2,7-9,11,18H,3-6H2.
What are the key properties of 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide has a molecular weight of 343.36 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).