N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C11H19F3N2O3S — CID 47343032

IUPACN-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)9-4-1-3-8(7-9)10(17)16-5-2-6-20(15,18)19/h8-9H,1-7H2,(H,16,17)(H2,15,18,19)
InChIKeyOMFJSNPMLYNGPZ-UHFFFAOYSA-N
MW316.35 g/mol
LogP1.15
Rot. Bonds5

About N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 47343032) has the molecular formula C11H19F3N2O3S and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID47343032
Molecular FormulaC11H19F3N2O3S
Molecular Weight316.35 g/mol
Exact Mass316.11
IUPAC NameN-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESNS(=O)(=O)CCCNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O3S/c12-11(13,14)9-4-1-3-8(7-9)10(17)16-5-2-6-20(15,18)19/h8-9H,1-7H2,(H,16,17)(H2,15,18,19)
InChIKeyOMFJSNPMLYNGPZ-UHFFFAOYSA-N
XLogP1.15
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylsulfonamidomethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 49676251
3-cyclohexyl-N-(2-sulfamoylethyl)butanamide
CID 53565503
(3S)-1-(4,4-difluorocyclohexanecarbonyl)pyrrolidine-3-sulfonamide
CID 164629310
(1S)-2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 164630921
N-[3-[cyclohexyl(methyl)sulfamoyl]cyclohexyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 171400587
N-cyclopropyl-3-{1-[(2,2,2-trifluoroethyl)sulfonyl]-4-piperidinyl}propanamide
CID 42193534
N-(1-methylsulfonylpiperidin-3-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 47910323
N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 49066460
N-[3-[ethylsulfonyl(methyl)amino]propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 55962308
3-cyclobutyl-N-[[1-(difluoromethylsulfonyl)piperidin-4-yl]methyl]propanamide
CID 75376773
1-(4,4-difluorocyclohexanecarbonyl)-N-ethylpyrrolidine-3-sulfonamide
CID 75471172
1-(4,4-Difluorocyclohexanecarbonyl)piperidine-3-sulfonamide
CID 81933235

Frequently Asked Questions

What is the IUPAC name of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 47343032) is N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is NS(=O)(=O)CCCNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is OMFJSNPMLYNGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O3S/c12-11(13,14)9-4-1-3-8(7-9)10(17)16-5-2-6-20(15,18)19/h8-9H,1-7H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-sulfamoylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 47343032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).