methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate

C27H23ClFNO4S — CID 86695016

IUPACmethyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
SMILESCOC(=O)Cc1cc2ccc(F)cc2c(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1C
InChIInChI=1S/C27H23ClFNO4S/c1-16-20(14-26(31)34-3)13-19-7-10-21(29)15-23(19)27(16)18-8-11-22(12-9-18)35(32,33)30-25-6-4-5-24(28)17(25)2/h4-13,15,30H,14H2,1-3H3
InChIKeyKUVPJKNSROVOGS-UHFFFAOYSA-N
MW512.00 g/mol
LogP6.43
Rot. Bonds6

About methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate

methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate (PubChem CID 86695016) has the molecular formula C27H23ClFNO4S and a molecular weight of 512.00 g/mol. Its IUPAC name is methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
PubChem CID86695016
Molecular FormulaC27H23ClFNO4S
Molecular Weight512.00 g/mol
Exact Mass511.10
IUPAC Namemethyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate
SMILESCOC(=O)Cc1cc2ccc(F)cc2c(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1C
InChIInChI=1S/C27H23ClFNO4S/c1-16-20(14-26(31)34-3)13-19-7-10-21(29)15-23(19)27(16)18-8-11-22(12-9-18)35(32,33)30-25-6-4-5-24(28)17(25)2/h4-13,15,30H,14H2,1-3H3
InChIKeyKUVPJKNSROVOGS-UHFFFAOYSA-N
XLogP6.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.00
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate 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 methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The IUPAC name of methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate (CID 86695016) is methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The canonical SMILES for methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate is COC(=O)Cc1cc2ccc(F)cc2c(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1C.
What is the InChIKey of methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
The InChIKey is KUVPJKNSROVOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClFNO4S/c1-16-20(14-26(31)34-3)13-19-7-10-21(29)15-23(19)27(16)18-8-11-22(12-9-18)35(32,33)30-25-6-4-5-24(28)17(25)2/h4-13,15,30H,14H2,1-3H3.
What are the key properties of methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate?
methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate has a molecular weight of 512.00 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]-6-fluoro-3-methylnaphthalen-2-yl]acetate is sourced from PubChem (CID 86695016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).