methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate

C20H15ClFNO5S — CID 146545929

IUPACmethyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1
InChIInChI=1S/C20H15ClFNO5S/c1-28-20(25)14-9-15(21)19(24)18(11-14)29(26,27)23-17-10-13(7-8-16(17)22)12-5-3-2-4-6-12/h2-11,23-24H,1H3
InChIKeyHJJDEVBGDLOHLB-UHFFFAOYSA-N
MW435.86 g/mol
LogP4.44
Rot. Bonds5

About methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate

methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate (PubChem CID 146545929) has the molecular formula C20H15ClFNO5S and a molecular weight of 435.86 g/mol. Its IUPAC name is methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
PubChem CID146545929
Molecular FormulaC20H15ClFNO5S
Molecular Weight435.86 g/mol
Exact Mass435.03
IUPAC Namemethyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
SMILESCOC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1
InChIInChI=1S/C20H15ClFNO5S/c1-28-20(25)14-9-15(21)19(24)18(11-14)29(26,27)23-17-10-13(7-8-16(17)22)12-5-3-2-4-6-12/h2-11,23-24H,1H3
InChIKeyHJJDEVBGDLOHLB-UHFFFAOYSA-N
XLogP4.44
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.86
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate 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 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate?
The IUPAC name of methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate (CID 146545929) is methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate.
What is the SMILES notation for methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate?
The canonical SMILES for methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate is COC(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)ccc2F)c1.
What is the InChIKey of methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate?
The InChIKey is HJJDEVBGDLOHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFNO5S/c1-28-20(25)14-9-15(21)19(24)18(11-14)29(26,27)23-17-10-13(7-8-16(17)22)12-5-3-2-4-6-12/h2-11,23-24H,1H3.
What are the key properties of methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate?
methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate has a molecular weight of 435.86 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-[(2-fluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate is sourced from PubChem (CID 146545929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).