1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide

C17H18F3N3O3S — CID 90634554

IUPAC1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H18F3N3O3S/c18-12-1-6-16(20)11(7-12)10-27(24,25)23-14-2-4-15(5-3-14)26-17-21-8-13(19)9-22-17/h1,6-9,14-15,23H,2-5,10H2
InChIKeyCRYXLFDDXDNVEW-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide (PubChem CID 90634554) has the molecular formula C17H18F3N3O3S and a molecular weight of 401.41 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
PubChem CID90634554
Molecular FormulaC17H18F3N3O3S
Molecular Weight401.41 g/mol
Exact Mass401.10
IUPAC Name1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C17H18F3N3O3S/c18-12-1-6-16(20)11(7-12)10-27(24,25)23-14-2-4-15(5-3-14)26-17-21-8-13(19)9-22-17/h1,6-9,14-15,23H,2-5,10H2
InChIKeyCRYXLFDDXDNVEW-UHFFFAOYSA-N
XLogP2.70
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90635069
2,5-difluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 90634538
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzenesulfonamide
CID 91626438
1-(2,4-difluorophenyl)-N-(4-propan-2-yloxycyclohexyl)methanesulfonamide
CID 75475359
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 90634541
(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide
CID 90634548
3-chloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-methylbenzenesulfonamide
CID 90634528
1-(1,2-benzoxazol-3-yl)-N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide
CID 90634113
2-(2-fluorophenoxy)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]acetamide
CID 90634253
2,4-dichloro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634216
N-(4-pyrimidin-2-yloxycyclohexyl)propane-1-sulfonamide
CID 90633512
N-[4-(5-chloropyrimidin-2-yl)oxycyclohexyl]-3,4-dimethylbenzenesulfonamide
CID 90634026

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide (CID 90634554) is 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
The InChIKey is CRYXLFDDXDNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3S/c18-12-1-6-16(20)11(7-12)10-27(24,25)23-14-2-4-15(5-3-14)26-17-21-8-13(19)9-22-17/h1,6-9,14-15,23H,2-5,10H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide has a molecular weight of 401.41 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]methanesulfonamide is sourced from PubChem (CID 90634554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).