3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

C11H19ClF3NO2S — CID 79585235

IUPAC3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19ClF3NO2S/c1-8(6-12)7-19(17,18)16-10-4-2-3-9(5-10)11(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyNULCOJXSRORRDF-UHFFFAOYSA-N
MW321.79 g/mol
LogP2.90
Rot. Bonds5

About 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide

3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (PubChem CID 79585235) has the molecular formula C11H19ClF3NO2S and a molecular weight of 321.79 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
PubChem CID79585235
Molecular FormulaC11H19ClF3NO2S
Molecular Weight321.79 g/mol
Exact Mass321.08
IUPAC Name3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)NC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H19ClF3NO2S/c1-8(6-12)7-19(17,18)16-10-4-2-3-9(5-10)11(13,14)15/h8-10,16H,2-7H2,1H3
InChIKeyNULCOJXSRORRDF-UHFFFAOYSA-N
XLogP2.90
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.79
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 54877703
3-chloro-N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 54877704
3-chloro-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 54877819
N-[3-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355499
N-[3-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355500
N-[2-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61355849
N-[2-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61355850
N-[4-(trifluoromethyl)cyclohexyl]propane-2-sulfonamide
CID 61356176
N-[4-(trifluoromethyl)cyclohexyl]ethanesulfonamide
CID 61356177
N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 61383788
N-[2-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 61383798
N-[4-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide
CID 61383807

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The IUPAC name of 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide (CID 79585235) is 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The canonical SMILES for 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is CC(CCl)CS(=O)(=O)NC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
The InChIKey is NULCOJXSRORRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClF3NO2S/c1-8(6-12)7-19(17,18)16-10-4-2-3-9(5-10)11(13,14)15/h8-10,16H,2-7H2,1H3.
What are the key properties of 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide?
3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide has a molecular weight of 321.79 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propane-1-sulfonamide is sourced from PubChem (CID 79585235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).