4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide

C19H24ClF3N2O4S — CID 55546561

IUPAC4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C19H24ClF3N2O4S/c20-15-8-7-12(10-17(15)30(27,28)24-11-13-4-3-9-29-13)18(26)25-16-6-2-1-5-14(16)19(21,22)23/h7-8,10,13-14,16,24H,1-6,9,11H2,(H,25,26)
InChIKeyDHXSMDPYSAEWAE-UHFFFAOYSA-N
MW468.93 g/mol
LogP3.65
Rot. Bonds6

About 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide

4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 55546561) has the molecular formula C19H24ClF3N2O4S and a molecular weight of 468.93 g/mol. Its IUPAC name is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID55546561
Molecular FormulaC19H24ClF3N2O4S
Molecular Weight468.93 g/mol
Exact Mass468.11
IUPAC Name4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
SMILESO=C(NC1CCCCC1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C19H24ClF3N2O4S/c20-15-8-7-12(10-17(15)30(27,28)24-11-13-4-3-9-29-13)18(26)25-16-6-2-1-5-14(16)19(21,22)23/h7-8,10,13-14,16,24H,1-6,9,11H2,(H,25,26)
InChIKeyDHXSMDPYSAEWAE-UHFFFAOYSA-N
XLogP3.65
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.93
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide 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

4-chloro-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 2095487
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134045733
4-chloro-N-(3,4-difluorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46798639
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
4-chloro-N-(3-methylbutyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46514472
propan-2-yl 2-[[4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoyl]amino]acetate
CID 56547063
4-chloro-N-(2,4-dimethylphenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9342591
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 55346360
2-chloro-5-[(3-methylbutanoylamino)carbamoyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 46514467
4-chloro-N-[(4-methylphenyl)methyl]-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 9473645
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-(1,3-thiazol-2-yl)benzamide
CID 18291900
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 55954261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide (CID 55546561) is 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide is O=C(NC1CCCCC1C(F)(F)F)c1ccc(Cl)c(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is DHXSMDPYSAEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClF3N2O4S/c20-15-8-7-12(10-17(15)30(27,28)24-11-13-4-3-9-29-13)18(26)25-16-6-2-1-5-14(16)19(21,22)23/h7-8,10,13-14,16,24H,1-6,9,11H2,(H,25,26).
What are the key properties of 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide?
4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 468.93 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)-N-[2-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 55546561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).