(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).