2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

C14H15F2N3O3S — CID 71810303

IUPAC2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O3S/c15-12-2-1-3-13(16)14(12)23(20,21)18-10-8-17-19(9-10)11-4-6-22-7-5-11/h1-3,8-9,11,18H,4-7H2
InChIKeyMGQQAMFKGRZDQY-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.31
Rot. Bonds4

About 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide

2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (PubChem CID 71810303) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
PubChem CID71810303
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC Name2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1cnn(C2CCOCC2)c1)c1c(F)cccc1F
InChIInChI=1S/C14H15F2N3O3S/c15-12-2-1-3-13(16)14(12)23(20,21)18-10-8-17-19(9-10)11-4-6-22-7-5-11/h1-3,8-9,11,18H,4-7H2
InChIKeyMGQQAMFKGRZDQY-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 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide (CID 71810303) is 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
The InChIKey is MGQQAMFKGRZDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c15-12-2-1-3-13(16)14(12)23(20,21)18-10-8-17-19(9-10)11-4-6-22-7-5-11/h1-3,8-9,11,18H,4-7H2.
What are the key properties of 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide?
2,6-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 2,6-difluoro-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 71810303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).