3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide

C17H21ClFN3O5S — CID 134581457

IUPAC3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
SMILESO=C(NC1CCC1)c1cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C17H21ClFN3O5S/c18-14-9-10(16(23)20-11-2-1-3-11)8-13(15(14)19)17(24)21-22-28(25,26)12-4-6-27-7-5-12/h8-9,11-12,22H,1-7H2,(H,20,23)(H,21,24)
InChIKeyOYNPDOCXWLMLFS-UHFFFAOYSA-N
MW433.89 g/mol
LogP1.50
Rot. Bonds6

About 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide

3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide (PubChem CID 134581457) has the molecular formula C17H21ClFN3O5S and a molecular weight of 433.89 g/mol. Its IUPAC name is 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
PubChem CID134581457
Molecular FormulaC17H21ClFN3O5S
Molecular Weight433.89 g/mol
Exact Mass433.09
IUPAC Name3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide
SMILESO=C(NC1CCC1)c1cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C17H21ClFN3O5S/c18-14-9-10(16(23)20-11-2-1-3-11)8-13(15(14)19)17(24)21-22-28(25,26)12-4-6-27-7-5-12/h8-9,11-12,22H,1-7H2,(H,20,23)(H,21,24)
InChIKeyOYNPDOCXWLMLFS-UHFFFAOYSA-N
XLogP1.50
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.89
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide 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-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide?
The IUPAC name of 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide (CID 134581457) is 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide.
What is the SMILES notation for 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide?
The canonical SMILES for 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide is O=C(NC1CCC1)c1cc(Cl)c(F)c(C(=O)NNS(=O)(=O)C2CCOCC2)c1.
What is the InChIKey of 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide?
The InChIKey is OYNPDOCXWLMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O5S/c18-14-9-10(16(23)20-11-2-1-3-11)8-13(15(14)19)17(24)21-22-28(25,26)12-4-6-27-7-5-12/h8-9,11-12,22H,1-7H2,(H,20,23)(H,21,24).
What are the key properties of 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide?
3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide has a molecular weight of 433.89 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclobutyl-4-fluoro-5-[(oxan-4-ylsulfonylamino)carbamoyl]benzamide is sourced from PubChem (CID 134581457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).