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

C19H16ClF3N2O4S — CID 146545815

IUPAC3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(C3CC3)c(F)cc2F)c1)N1CC(F)C1
InChIInChI=1S/C19H16ClF3N2O4S/c20-13-3-10(19(27)25-7-11(21)8-25)4-17(18(13)26)30(28,29)24-16-5-12(9-1-2-9)14(22)6-15(16)23/h3-6,9,11,24,26H,1-2,7-8H2
InChIKeyJAQQJXGXXRJNBS-UHFFFAOYSA-N
MW460.86 g/mol
LogP3.80
Rot. Bonds5

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

3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide (PubChem CID 146545815) has the molecular formula C19H16ClF3N2O4S and a molecular weight of 460.86 g/mol. Its IUPAC name is 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide
PubChem CID146545815
Molecular FormulaC19H16ClF3N2O4S
Molecular Weight460.86 g/mol
Exact Mass460.05
IUPAC Name3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide
SMILESO=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(C3CC3)c(F)cc2F)c1)N1CC(F)C1
InChIInChI=1S/C19H16ClF3N2O4S/c20-13-3-10(19(27)25-7-11(21)8-25)4-17(18(13)26)30(28,29)24-16-5-12(9-1-2-9)14(22)6-15(16)23/h3-6,9,11,24,26H,1-2,7-8H2
InChIKeyJAQQJXGXXRJNBS-UHFFFAOYSA-N
XLogP3.80
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.86
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-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 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide (CID 146545815) is 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide is O=C(c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(C3CC3)c(F)cc2F)c1)N1CC(F)C1.
What is the InChIKey of 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide?
The InChIKey is JAQQJXGXXRJNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N2O4S/c20-13-3-10(19(27)25-7-11(21)8-25)4-17(18(13)26)30(28,29)24-16-5-12(9-1-2-9)14(22)6-15(16)23/h3-6,9,11,24,26H,1-2,7-8H2.
What are the key properties of 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide?
3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide has a molecular weight of 460.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(5-cyclopropyl-2,4-difluorophenyl)-5-(3-fluoroazetidine-1-carbonyl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 146545815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).