N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide

C10H20ClNO2S — CID 106367782

IUPACN-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCCC1CCl
InChIInChI=1S/C10H20ClNO2S/c1-8(2)15(13,14)12-10-6-4-3-5-9(10)7-11/h8-10,12H,3-7H2,1-2H3
InChIKeyIUYCCGNGYXSECS-UHFFFAOYSA-N
MW253.79 g/mol
LogP2.11
Rot. Bonds4

About N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide

N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide (PubChem CID 106367782) has the molecular formula C10H20ClNO2S and a molecular weight of 253.79 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
PubChem CID106367782
Molecular FormulaC10H20ClNO2S
Molecular Weight253.79 g/mol
Exact Mass253.09
IUPAC NameN-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCCCC1CCl
InChIInChI=1S/C10H20ClNO2S/c1-8(2)15(13,14)12-10-6-4-3-5-9(10)7-11/h8-10,12H,3-7H2,1-2H3
InChIKeyIUYCCGNGYXSECS-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.79
LogP ≤ 52.11
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

N-[2-(chloromethyl)cyclohexyl]-2-methylpropanamide
CID 106366671
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[2-(chloromethyl)cyclohexyl]-3-methylpiperidine-1-sulfonamide
CID 106367836
N-[2-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114179813
N-cyclodecylpropane-2-sulfonamide
CID 131977128
5-chloro-N-[2-(chloromethyl)cyclohexyl]-4-methylthiophene-2-sulfonamide
CID 106367818
N-[2-(chloromethyl)cyclohexyl]-1-methylimidazole-4-sulfonamide
CID 106367783
2-(chloromethyl)-N-(1-methoxypropan-2-yl)cyclohexan-1-amine
CID 106365311
3-bromo-N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179808
2-(chloromethyl)-N-(2-ethylbutyl)cyclohexan-1-amine
CID 106365168
N-[2-(chloromethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 106367635
1-(bromomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 106367701

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide?
The IUPAC name of N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide (CID 106367782) is N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCCCC1CCl.
What is the InChIKey of N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide?
The InChIKey is IUYCCGNGYXSECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClNO2S/c1-8(2)15(13,14)12-10-6-4-3-5-9(10)7-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide?
N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide has a molecular weight of 253.79 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclohexyl]propane-2-sulfonamide is sourced from PubChem (CID 106367782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).