2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide

C16H16F3N3O3S — CID 90634538

IUPAC2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F3N3O3S/c17-10-1-6-14(19)15(7-10)26(23,24)22-12-2-4-13(5-3-12)25-16-20-8-11(18)9-21-16/h1,6-9,12-13,22H,2-5H2
InChIKeyNWECHKBPWQHPFH-UHFFFAOYSA-N
MW387.38 g/mol
LogP2.56
Rot. Bonds5

About 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide

2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide (PubChem CID 90634538) has the molecular formula C16H16F3N3O3S and a molecular weight of 387.38 g/mol. Its IUPAC name is 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
PubChem CID90634538
Molecular FormulaC16H16F3N3O3S
Molecular Weight387.38 g/mol
Exact Mass387.09
IUPAC Name2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
SMILESO=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C16H16F3N3O3S/c17-10-1-6-14(19)15(7-10)26(23,24)22-12-2-4-13(5-3-12)25-16-20-8-11(18)9-21-16/h1,6-9,12-13,22H,2-5H2
InChIKeyNWECHKBPWQHPFH-UHFFFAOYSA-N
XLogP2.56
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90634554
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
N-[4-(3-cyanopyrazin-2-yl)oxycyclohexyl]-2,5-difluorobenzenesulfonamide
CID 91626214
3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
CID 90634528
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90634541
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90634548
5-chloro-N-cyclopentyl-2-fluorobenzenesulfonamide
CID 110759330
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide (CID 90634538) is 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide is O=S(=O)(NC1CCC(Oc2ncc(F)cn2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide?
The InChIKey is NWECHKBPWQHPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3S/c17-10-1-6-14(19)15(7-10)26(23,24)22-12-2-4-13(5-3-12)25-16-20-8-11(18)9-21-16/h1,6-9,12-13,22H,2-5H2.
What are the key properties of 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide?
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide has a molecular weight of 387.38 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide is sourced from PubChem (CID 90634538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).