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

C16H17F2N3O3S — CID 90633529

IUPAC2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3O3S/c17-11-2-7-15(14(18)10-11)25(22,23)21-12-3-5-13(6-4-12)24-16-19-8-1-9-20-16/h1-2,7-10,12-13,21H,3-6H2
InChIKeyHUKXKJCXBQQCJS-UHFFFAOYSA-N
MW369.39 g/mol
LogP2.42
Rot. Bonds5

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

2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (PubChem CID 90633529) has the molecular formula C16H17F2N3O3S and a molecular weight of 369.39 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
PubChem CID90633529
Molecular FormulaC16H17F2N3O3S
Molecular Weight369.39 g/mol
Exact Mass369.10
IUPAC Name2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccc(F)cc1F
InChIInChI=1S/C16H17F2N3O3S/c17-11-2-7-15(14(18)10-11)25(22,23)21-12-3-5-13(6-4-12)24-16-19-8-1-9-20-16/h1-2,7-10,12-13,21H,3-6H2
InChIKeyHUKXKJCXBQQCJS-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 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (CID 90633529) is 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The InChIKey is HUKXKJCXBQQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3S/c17-11-2-7-15(14(18)10-11)25(22,23)21-12-3-5-13(6-4-12)24-16-19-8-1-9-20-16/h1-2,7-10,12-13,21H,3-6H2.
What are the key properties of 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
2,4-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 2,4-difluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 90633529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).