(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide

C19H22FN3O3S — CID 90634548

IUPAC(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-2-4-15(5-3-14)10-11-27(24,25)23-17-6-8-18(9-7-17)26-19-21-12-16(20)13-22-19/h2-5,10-13,17-18,23H,6-9H2,1H3/b11-10+
InChIKeyLZOJSYGFGRTDLP-ZHACJKMWSA-N
MW391.47 g/mol
LogP3.20
Rot. Bonds6

About (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide

(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide (PubChem CID 90634548) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide
PubChem CID90634548
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cc1
InChIInChI=1S/C19H22FN3O3S/c1-14-2-4-15(5-3-14)10-11-27(24,25)23-17-6-8-18(9-7-17)26-19-21-12-16(20)13-22-19/h2-5,10-13,17-18,23H,6-9H2,1H3/b11-10+
InChIKeyLZOJSYGFGRTDLP-ZHACJKMWSA-N
XLogP3.20
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzenesulfonamide
CID 90314566
2-cyclohexyloxy-5-fluoro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 57818805
2-cyclohexyloxy-5-fluoro-N-(2-phenylethyl)pyrimidin-4-amine
CID 57818841
methyl N-[(2-fluorophenyl)methyl]-3-[5-fluoro-4-(2-sulfamoylethylamino)pyrimidin-2-yl]-3-iminopropanimidate
CID 123917815
5-[4-[2-[(1S)-1-(2-fluorophenyl)ethyl]imino-6,6-dimethyl-4,4-dioxo-1,4,3-oxathiazinan-5-yl]phenyl]pyrimidin-2-amine
CID 136265399
2-((1-((3-Fluorobenzyl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 90558926
2-((1-((4-Fluorobenzyl)sulfonyl)piperidin-4-yl)oxy)pyrimidine
CID 90558927
2,4-difluoro-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)benzenesulfonamide
CID 90633529
2-fluoro-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)benzenesulfonamide
CID 90633538
2,6-difluoro-N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)benzenesulfonamide
CID 90633546
N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90633548
N-((1r,4r)-4-(pyrimidin-2-yloxy)cyclohexyl)-4-(trifluoromethyl)benzenesulfonamide
CID 90633549

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide?
The IUPAC name of (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide (CID 90634548) is (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide?
The canonical SMILES for (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide is Cc1ccc(/C=C/S(=O)(=O)NC2CCC(Oc3ncc(F)cn3)CC2)cc1.
What is the InChIKey of (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide?
The InChIKey is LZOJSYGFGRTDLP-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c1-14-2-4-15(5-3-14)10-11-27(24,25)23-17-6-8-18(9-7-17)26-19-21-12-16(20)13-22-19/h2-5,10-13,17-18,23H,6-9H2,1H3/b11-10+.
What are the key properties of (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide?
(E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide has a molecular weight of 391.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-2-(4-methylphenyl)ethenesulfonamide is sourced from PubChem (CID 90634548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).