5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide

C30H26Cl2FNO5S — CID 58531701

IUPAC5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide
SMILESO=C(CCCO)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1O
InChIInChI=1S/C30H26Cl2FNO5S/c31-24-10-8-22(9-11-24)23-4-1-3-21(15-23)19-34(18-20-6-12-26(33)13-7-20)40(38,39)29-17-25(32)16-27(30(29)37)28(36)5-2-14-35/h1,3-4,6-13,15-17,35,37H,2,5,14,18-19H2
InChIKeyCTVFEBZUZMNPES-UHFFFAOYSA-N
MW602.51 g/mol
LogP6.85
Rot. Bonds11

About 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide

5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide (PubChem CID 58531701) has the molecular formula C30H26Cl2FNO5S and a molecular weight of 602.51 g/mol. Its IUPAC name is 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide
PubChem CID58531701
Molecular FormulaC30H26Cl2FNO5S
Molecular Weight602.51 g/mol
Exact Mass601.09
IUPAC Name5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide
SMILESO=C(CCCO)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1O
InChIInChI=1S/C30H26Cl2FNO5S/c31-24-10-8-22(9-11-24)23-4-1-3-21(15-23)19-34(18-20-6-12-26(33)13-7-20)40(38,39)29-17-25(32)16-27(30(29)37)28(36)5-2-14-35/h1,3-4,6-13,15-17,35,37H,2,5,14,18-19H2
InChIKeyCTVFEBZUZMNPES-UHFFFAOYSA-N
XLogP6.85
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.51
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-[2-[4-(2-hydroxyethyl)phenyl]acetyl]benzenesulfonamide
CID 58531408
5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(3-phenylpropanoyl)benzenesulfonamide
CID 58531445
3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(3-phenylpropanoyl)benzenesulfonamide
CID 58531510
Methyl 5-chloro-3-[[3-(4-chlorophenyl)phenyl]methyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-hydroxybenzoate
CID 58531512
3-Chloro-5-[[3-(4-chlorophenyl)phenyl]methyl-[(4-fluorophenyl)methyl]sulfamoyl]-4-hydroxybenzoic acid
CID 58531543
3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-5-(4,5-dihydroxypentanoyl)-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 58531548
5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(2-phenylacetyl)benzenesulfonamide
CID 58531554
3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(3-methylbutanoyl)benzenesulfonamide
CID 58531589
3-Chloro-5-[[3-(4-chlorophenyl)phenyl]methyl-[(4-fluorophenyl)methyl]sulfamoyl]-4-hydroxybenzamide
CID 58531590
3-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-5-(2-phenylacetyl)benzenesulfonamide
CID 58531615
5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-methylbenzenesulfonamide
CID 58531622
3,5-dichloro-N-[(4-fluorophenyl)methyl]-2-hydroxy-N-[[3-[3-(4-methylphenyl)-3-oxopropyl]phenyl]methyl]benzenesulfonamide
CID 58531668

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide?
The IUPAC name of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide (CID 58531701) is 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide?
The canonical SMILES for 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide is O=C(CCCO)c1cc(Cl)cc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cccc(-c3ccc(Cl)cc3)c2)c1O.
What is the InChIKey of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide?
The InChIKey is CTVFEBZUZMNPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26Cl2FNO5S/c31-24-10-8-22(9-11-24)23-4-1-3-21(15-23)19-34(18-20-6-12-26(33)13-7-20)40(38,39)29-17-25(32)16-27(30(29)37)28(36)5-2-14-35/h1,3-4,6-13,15-17,35,37H,2,5,14,18-19H2.
What are the key properties of 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide?
5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide has a molecular weight of 602.51 g/mol, XLogP of 6.85, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-(4-chlorophenyl)phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxy-3-(4-hydroxybutanoyl)benzenesulfonamide is sourced from PubChem (CID 58531701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).