N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide

C19H26ClFN2O4S — CID 72548900

IUPACN-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
SMILESCC1CCCC(C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1Cl
InChIInChI=1S/C19H26ClFN2O4S/c1-12-5-3-6-13(2)15(12)11-27-18-10-17(21)14(9-16(18)20)19(24)22-28(25,26)23-7-4-8-23/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyOFSOQESHXIPGBU-UHFFFAOYSA-N
MW432.95 g/mol
LogP3.61
Rot. Bonds6

About N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide

N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide (PubChem CID 72548900) has the molecular formula C19H26ClFN2O4S and a molecular weight of 432.95 g/mol. Its IUPAC name is N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide.

Molecular Properties

Compound NameN-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
PubChem CID72548900
Molecular FormulaC19H26ClFN2O4S
Molecular Weight432.95 g/mol
Exact Mass432.13
IUPAC NameN-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide
SMILESCC1CCCC(C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1Cl
InChIInChI=1S/C19H26ClFN2O4S/c1-12-5-3-6-13(2)15(12)11-27-18-10-17(21)14(9-16(18)20)19(24)22-28(25,26)23-7-4-8-23/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,22,24)
InChIKeyOFSOQESHXIPGBU-UHFFFAOYSA-N
XLogP3.61
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide 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 N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
The IUPAC name of N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide (CID 72548900) is N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide.
What is the SMILES notation for N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
The canonical SMILES for N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide is CC1CCCC(C)C1COc1cc(F)c(C(=O)NS(=O)(=O)N2CCC2)cc1Cl.
What is the InChIKey of N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
The InChIKey is OFSOQESHXIPGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClFN2O4S/c1-12-5-3-6-13(2)15(12)11-27-18-10-17(21)14(9-16(18)20)19(24)22-28(25,26)23-7-4-8-23/h9-10,12-13,15H,3-8,11H2,1-2H3,(H,22,24).
What are the key properties of N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide?
N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide has a molecular weight of 432.95 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-1-ylsulfonyl)-5-chloro-4-[(2,6-dimethylcyclohexyl)methoxy]-2-fluorobenzamide is sourced from PubChem (CID 72548900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).