5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide

C19H17ClF2N2O4S — CID 146545888

IUPAC5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(C3CC3)c(F)cc2F)c1)N1CCC1
InChIInChI=1S/C19H17ClF2N2O4S/c20-13-6-11(19(26)24-4-1-5-24)7-17(18(13)25)29(27,28)23-16-8-12(10-2-3-10)14(21)9-15(16)22/h6-10,23,25H,1-5H2
InChIKeyGDYJAYULXIENMM-UHFFFAOYSA-N
MW442.87 g/mol
LogP3.85
Rot. Bonds5

About 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide

5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545888) has the molecular formula C19H17ClF2N2O4S and a molecular weight of 442.87 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide
PubChem CID146545888
Molecular FormulaC19H17ClF2N2O4S
Molecular Weight442.87 g/mol
Exact Mass442.06
IUPAC Name5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(C3CC3)c(F)cc2F)c1)N1CCC1
InChIInChI=1S/C19H17ClF2N2O4S/c20-13-6-11(19(26)24-4-1-5-24)7-17(18(13)25)29(27,28)23-16-8-12(10-2-3-10)14(21)9-15(16)22/h6-10,23,25H,1-5H2
InChIKeyGDYJAYULXIENMM-UHFFFAOYSA-N
XLogP3.85
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.87
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-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-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide (CID 146545888) is 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide is O=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(C3CC3)c(F)cc2F)c1)N1CCC1.
What is the InChIKey of 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide?
The InChIKey is GDYJAYULXIENMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N2O4S/c20-13-6-11(19(26)24-4-1-5-24)7-17(18(13)25)29(27,28)23-16-8-12(10-2-3-10)14(21)9-15(16)22/h6-10,23,25H,1-5H2.
What are the key properties of 5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide?
5-(azetidine-1-carbonyl)-3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide has a molecular weight of 442.87 g/mol, XLogP of 3.85, 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-(5-cyclopropyl-2,4-difluorophenyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).