2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide

C16H18FN3O3S — CID 90633538

IUPAC2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c17-14-4-1-2-5-15(14)24(21,22)20-12-6-8-13(9-7-12)23-16-18-10-3-11-19-16/h1-5,10-13,20H,6-9H2
InChIKeyQVYYEJNVNJESHJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.28
Rot. Bonds5

About 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide

2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (PubChem CID 90633538) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
PubChem CID90633538
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccccc1F
InChIInChI=1S/C16H18FN3O3S/c17-14-4-1-2-5-15(14)24(21,22)20-12-6-8-13(9-7-12)23-16-18-10-3-11-19-16/h1-5,10-13,20H,6-9H2
InChIKeyQVYYEJNVNJESHJ-UHFFFAOYSA-N
XLogP2.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide (CID 90633538) is 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncccn2)CC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
The InChIKey is QVYYEJNVNJESHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c17-14-4-1-2-5-15(14)24(21,22)20-12-6-8-13(9-7-12)23-16-18-10-3-11-19-16/h1-5,10-13,20H,6-9H2.
What are the key properties of 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide?
2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(4-pyrimidin-2-yloxycyclohexyl)benzenesulfonamide is sourced from PubChem (CID 90633538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).