N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide

C23H23ClFNO5S — CID 59159806

IUPACN-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2F)c(Cl)cc1C1=C(O)C2(CCCCC2)OC1=O
InChIInChI=1S/C23H23ClFNO5S/c1-13-10-16(17-11-14(6-7-19(17)25)26-32(2,29)30)18(24)12-15(13)20-21(27)23(31-22(20)28)8-4-3-5-9-23/h6-7,10-12,26-27H,3-5,8-9H2,1-2H3
InChIKeyONEHRZJMHPQRQC-UHFFFAOYSA-N
MW479.96 g/mol
LogP5.35
Rot. Bonds4

About N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide

N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide (PubChem CID 59159806) has the molecular formula C23H23ClFNO5S and a molecular weight of 479.96 g/mol. Its IUPAC name is N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide
PubChem CID59159806
Molecular FormulaC23H23ClFNO5S
Molecular Weight479.96 g/mol
Exact Mass479.10
IUPAC NameN-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide
SMILESCc1cc(-c2cc(NS(C)(=O)=O)ccc2F)c(Cl)cc1C1=C(O)C2(CCCCC2)OC1=O
InChIInChI=1S/C23H23ClFNO5S/c1-13-10-16(17-11-14(6-7-19(17)25)26-32(2,29)30)18(24)12-15(13)20-21(27)23(31-22(20)28)8-4-3-5-9-23/h6-7,10-12,26-27H,3-5,8-9H2,1-2H3
InChIKeyONEHRZJMHPQRQC-UHFFFAOYSA-N
XLogP5.35
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide 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 N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide (CID 59159806) is N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide is Cc1cc(-c2cc(NS(C)(=O)=O)ccc2F)c(Cl)cc1C1=C(O)C2(CCCCC2)OC1=O.
What is the InChIKey of N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide?
The InChIKey is ONEHRZJMHPQRQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFNO5S/c1-13-10-16(17-11-14(6-7-19(17)25)26-32(2,29)30)18(24)12-15(13)20-21(27)23(31-22(20)28)8-4-3-5-9-23/h6-7,10-12,26-27H,3-5,8-9H2,1-2H3.
What are the key properties of N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide?
N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide has a molecular weight of 479.96 g/mol, XLogP of 5.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-chloro-4-(4-hydroxy-2-oxo-1-oxaspiro[4.5]dec-3-en-3-yl)-5-methylphenyl]-4-fluorophenyl]methanesulfonamide is sourced from PubChem (CID 59159806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).