5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

C22H17ClF2N2O4S — CID 146545822

IUPAC5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1)N1CCC1
InChIInChI=1S/C22H17ClF2N2O4S/c23-16-9-15(22(29)27-7-4-8-27)12-19(21(16)28)32(30,31)26-18-11-14(10-17(24)20(18)25)13-5-2-1-3-6-13/h1-3,5-6,9-12,26,28H,4,7-8H2
InChIKeyMXJNGLCNKUWKDL-UHFFFAOYSA-N
MW478.90 g/mol
LogP4.64
Rot. Bonds5

About 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide

5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545822) has the molecular formula C22H17ClF2N2O4S and a molecular weight of 478.90 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545822
Molecular FormulaC22H17ClF2N2O4S
Molecular Weight478.90 g/mol
Exact Mass478.06
IUPAC Name5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1)N1CCC1
InChIInChI=1S/C22H17ClF2N2O4S/c23-16-9-15(22(29)27-7-4-8-27)12-19(21(16)28)32(30,31)26-18-11-14(10-17(24)20(18)25)13-5-2-1-3-6-13/h1-3,5-6,9-12,26,28H,4,7-8H2
InChIKeyMXJNGLCNKUWKDL-UHFFFAOYSA-N
XLogP4.64
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide 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 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide (CID 146545822) is 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is O=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)cc(F)c2F)c1)N1CCC1.
What is the InChIKey of 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is MXJNGLCNKUWKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N2O4S/c23-16-9-15(22(29)27-7-4-8-27)12-19(21(16)28)32(30,31)26-18-11-14(10-17(24)20(18)25)13-5-2-1-3-6-13/h1-3,5-6,9-12,26,28H,4,7-8H2.
What are the key properties of 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide?
5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 478.90 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-3-chloro-N-(2,3-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).