N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide

C7H13Cl3N2O2S — CID 18350596

IUPACN-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2
InChIKeyKVDUPTMWADDALF-UHFFFAOYSA-N
MW295.62 g/mol
LogP1.50
Rot. Bonds2

About N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide

N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide (PubChem CID 18350596) has the molecular formula C7H13Cl3N2O2S and a molecular weight of 295.62 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide
PubChem CID18350596
Molecular FormulaC7H13Cl3N2O2S
Molecular Weight295.62 g/mol
Exact Mass293.98
IUPAC NameN-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide
SMILESNC1CCCCC1NS(=O)(=O)C(Cl)(Cl)Cl
InChIInChI=1S/C7H13Cl3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2
InChIKeyKVDUPTMWADDALF-UHFFFAOYSA-N
XLogP1.50
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.62
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;benzene;ruthenium
CID 87792256
N-[(1R,2R)-2-aminocyclohexyl]propane-1-sulfonamide
CID 93452968
trans-(1R,2R)-2-N-(2,2,2-trifluoroethylsulfamoyl)cyclohexane-1,2-diamine
CID 102725003
N-[(1S,2S)-2-aminocyclohexyl]-1,1,1-trifluoromethanesulfonamide;ruthenium;1,2,3-trimethylbenzene
CID 87833910
N-(2-aminocyclohexyl)-1-cycloheptylmethanesulfonamide
CID 59537369
N-(2-aminocyclohexyl)-1,1-dioxothiane-4-sulfonamide
CID 62083890
N-[(1R,2R)-2-aminocycloheptyl]-4-nitrobenzenesulfonamide
CID 86814144
N-(2-aminocyclohexyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059853
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dichlorobenzenesulfonamide
CID 93453493
N-[(1R,2R)-2-aminocyclohexyl]-4-[[4-[[(1S,2S)-2-aminocyclohexyl]sulfamoyl]phenyl]disulfanyl]benzenesulfonamide
CID 58915457
N-[(1R,2R)-2-aminocyclohexyl]-2,4-dibromobenzenesulfonamide
CID 93453140
N-(2-aminocycloheptyl)butane-1-sulfonamide
CID 63258980

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide?
The IUPAC name of N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide (CID 18350596) is N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide?
The canonical SMILES for N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide is NC1CCCCC1NS(=O)(=O)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide?
The InChIKey is KVDUPTMWADDALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13Cl3N2O2S/c8-7(9,10)15(13,14)12-6-4-2-1-3-5(6)11/h5-6,12H,1-4,11H2.
What are the key properties of N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide?
N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide has a molecular weight of 295.62 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-1,1,1-trichloromethanesulfonamide is sourced from PubChem (CID 18350596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).