2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide

C16H17F2N3O3S — CID 90633546

IUPAC2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3O3S/c17-13-3-1-4-14(18)15(13)25(22,23)21-11-5-7-12(8-6-11)24-16-19-9-2-10-20-16/h1-4,9-12,21H,5-8H2
InChIKeyFHJLIEGLLDVPJR-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.42
Rot. Bonds5

About 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide

2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (PubChem CID 90633546) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
PubChem CID90633546
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1c(F)cccc1F
InChIInChI=1S/C16H17F2N3O3S/c17-13-3-1-4-14(18)15(13)25(22,23)21-11-5-7-12(8-6-11)24-16-19-9-2-10-20-16/h1-4,9-12,21H,5-8H2
InChIKeyFHJLIEGLLDVPJR-UHFFFAOYSA-N
XLogP2.42
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.39
LogP ≤ 52.42
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-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (CID 90633546) is 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The InChIKey is FHJLIEGLLDVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c17-13-3-1-4-14(18)15(13)25(22,23)21-11-5-7-12(8-6-11)24-16-19-9-2-10-20-16/h1-4,9-12,21H,5-8H2.
What are the key properties of 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide has a molecular weight of 369.39 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 90633546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).