methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate

C14H15ClFNO5S — CID 11559612

IUPACmethyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1CC=C(F)CN1S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H15ClFNO5S/c1-21-12-6-3-9(15)7-13(12)23(19,20)17-8-10(16)4-5-11(17)14(18)22-2/h3-4,6-7,11H,5,8H2,1-2H3
InChIKeySVRPEOSAFBGNOZ-UHFFFAOYSA-N
MW363.79 g/mol
LogP2.14
Rot. Bonds4

About methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate

methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate (PubChem CID 11559612) has the molecular formula C14H15ClFNO5S and a molecular weight of 363.79 g/mol. Its IUPAC name is methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate
PubChem CID11559612
Molecular FormulaC14H15ClFNO5S
Molecular Weight363.79 g/mol
Exact Mass363.03
IUPAC Namemethyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate
SMILESCOC(=O)C1CC=C(F)CN1S(=O)(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H15ClFNO5S/c1-21-12-6-3-9(15)7-13(12)23(19,20)17-8-10(16)4-5-11(17)14(18)22-2/h3-4,6-7,11H,5,8H2,1-2H3
InChIKeySVRPEOSAFBGNOZ-UHFFFAOYSA-N
XLogP2.14
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.79
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate?
The IUPAC name of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate (CID 11559612) is methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate?
The canonical SMILES for methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate is COC(=O)C1CC=C(F)CN1S(=O)(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate?
The InChIKey is SVRPEOSAFBGNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNO5S/c1-21-12-6-3-9(15)7-13(12)23(19,20)17-8-10(16)4-5-11(17)14(18)22-2/h3-4,6-7,11H,5,8H2,1-2H3.
What are the key properties of methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate?
methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate has a molecular weight of 363.79 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-chloro-2-methoxyphenyl)sulfonyl-5-fluoro-3,6-dihydro-2H-pyridine-2-carboxylate is sourced from PubChem (CID 11559612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).