3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide

C20H16ClF2NO4S — CID 146546015

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C20H16ClF2NO4S/c1-28-11-12-7-15(21)20(25)19(8-12)29(26,27)24-18-9-14(16(22)10-17(18)23)13-5-3-2-4-6-13/h2-10,24-25H,11H2,1H3
InChIKeyDCNHRHNOSXBNFW-UHFFFAOYSA-N
MW439.87 g/mol
LogP4.94
Rot. Bonds6

About 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide (PubChem CID 146546015) has the molecular formula C20H16ClF2NO4S and a molecular weight of 439.87 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide
PubChem CID146546015
Molecular FormulaC20H16ClF2NO4S
Molecular Weight439.87 g/mol
Exact Mass439.05
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide
SMILESCOCc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C20H16ClF2NO4S/c1-28-11-12-7-15(21)20(25)19(8-12)29(26,27)24-18-9-14(16(22)10-17(18)23)13-5-3-2-4-6-13/h2-10,24-25H,11H2,1H3
InChIKeyDCNHRHNOSXBNFW-UHFFFAOYSA-N
XLogP4.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.87
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide 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 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide (CID 146546015) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide is COCc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1.
What is the InChIKey of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide?
The InChIKey is DCNHRHNOSXBNFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF2NO4S/c1-28-11-12-7-15(21)20(25)19(8-12)29(26,27)24-18-9-14(16(22)10-17(18)23)13-5-3-2-4-6-13/h2-10,24-25H,11H2,1H3.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide has a molecular weight of 439.87 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(methoxymethyl)benzenesulfonamide is sourced from PubChem (CID 146546015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).