cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate

C15H20FNO4S — CID 52651787

IUPACcyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1cc(C(=O)OC2CCCCC2)ccc1F
InChIInChI=1S/C15H20FNO4S/c1-17(2)22(19,20)14-10-11(8-9-13(14)16)15(18)21-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyGDMZWZOZDCMULW-UHFFFAOYSA-N
MW329.39 g/mol
LogP2.57
Rot. Bonds4

About cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate

cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate (PubChem CID 52651787) has the molecular formula C15H20FNO4S and a molecular weight of 329.39 g/mol. Its IUPAC name is cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate.

Molecular Properties

Compound Namecyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
PubChem CID52651787
Molecular FormulaC15H20FNO4S
Molecular Weight329.39 g/mol
Exact Mass329.11
IUPAC Namecyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate
SMILESCN(C)S(=O)(=O)c1cc(C(=O)OC2CCCCC2)ccc1F
InChIInChI=1S/C15H20FNO4S/c1-17(2)22(19,20)14-10-11(8-9-13(14)16)15(18)21-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyGDMZWZOZDCMULW-UHFFFAOYSA-N
XLogP2.57
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclobutyl 3-chlorosulfonyl-4-fluorobenzoate
CID 65373953
cyclohexyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate
CID 55335058
cyclododecyl 4-(dimethylsulfamoyl)benzoate
CID 5032612
cyclohexyl 4-(dimethylsulfamoyl)benzoate
CID 2079292
3-(dimethylsulfamoyl)-4-fluorobenzoic acid
CID 11118373
cyclobutyl 3,4-difluorobenzoate
CID 174934695
(4-methylcyclohexyl) 3-chlorosulfonyl-4-fluorobenzoate
CID 65397537
cyclopentyl 3-amino-4-fluorobenzoate
CID 61279217
cyclohexyl 4-fluoro-3-(trifluoromethyl)benzoate
CID 63839194
cyclohexyl 4-bromo-3-sulfamoylbenzoate
CID 65381840
CID 87698819
CID 87698819
cyclobutyl 3-chlorosulfonyl-4-(dimethylamino)benzoate
CID 65375300

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate?
The IUPAC name of cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate (CID 52651787) is cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate.
What is the SMILES notation for cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate?
The canonical SMILES for cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate is CN(C)S(=O)(=O)c1cc(C(=O)OC2CCCCC2)ccc1F.
What is the InChIKey of cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate?
The InChIKey is GDMZWZOZDCMULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO4S/c1-17(2)22(19,20)14-10-11(8-9-13(14)16)15(18)21-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate?
cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate has a molecular weight of 329.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 3-(dimethylsulfamoyl)-4-fluorobenzoate is sourced from PubChem (CID 52651787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).