3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide

C17H23F3N2O3S — CID 25348383

IUPAC3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C17H23F3N2O3S/c1-2-9-26(24,25)22-15-8-3-5-12(10-15)16(23)21-14-7-4-6-13(11-14)17(18,19)20/h3,5,8,10,13-14,22H,2,4,6-7,9,11H2,1H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyAAWTYUXGDOVVCH-ZIAGYGMSSA-N
MW392.44 g/mol
LogP3.69
Rot. Bonds6

About 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide

3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide (PubChem CID 25348383) has the molecular formula C17H23F3N2O3S and a molecular weight of 392.44 g/mol. Its IUPAC name is 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide.

Molecular Properties

Compound Name3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
PubChem CID25348383
Molecular FormulaC17H23F3N2O3S
Molecular Weight392.44 g/mol
Exact Mass392.14
IUPAC Name3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide
SMILESCCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1
InChIInChI=1S/C17H23F3N2O3S/c1-2-9-26(24,25)22-15-8-3-5-12(10-15)16(23)21-14-7-4-6-13(11-14)17(18,19)20/h3,5,8,10,13-14,22H,2,4,6-7,9,11H2,1H3,(H,21,23)/t13-,14-/m1/s1
InChIKeyAAWTYUXGDOVVCH-ZIAGYGMSSA-N
XLogP3.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylcyclohexyl)-3-(propylsulfonylamino)benzamide
CID 46605709
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 42936334
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
N-[3-(cyclopropanecarbonyl)phenyl]propane-1-sulfonamide
CID 112511038
N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]quinoxaline-6-carboxamide
CID 97185005
2-chloro-N-cyclohexyl-5-[[3-(propylsulfonylamino)benzoyl]amino]benzamide
CID 55978369
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
N-[3-[(3R)-2,2-dimethyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]propane-1-sulfonamide
CID 124726991
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
N,N-dimethyl-3-(propylsulfonylamino)benzamide
CID 46449543
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55517576

Frequently Asked Questions

What is the IUPAC name of 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The IUPAC name of 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide (CID 25348383) is 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide.
What is the SMILES notation for 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The canonical SMILES for 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide is CCCS(=O)(=O)Nc1cccc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1.
What is the InChIKey of 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
The InChIKey is AAWTYUXGDOVVCH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23F3N2O3S/c1-2-9-26(24,25)22-15-8-3-5-12(10-15)16(23)21-14-7-4-6-13(11-14)17(18,19)20/h3,5,8,10,13-14,22H,2,4,6-7,9,11H2,1H3,(H,21,23)/t13-,14-/m1/s1.
What are the key properties of 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide?
3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylsulfonylamino)-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]benzamide is sourced from PubChem (CID 25348383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).