N-[4-(chloromethyl)cyclohexyl]methanesulfonamide

C8H16ClNO2S — CID 126979721

IUPACN-[4-(chloromethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h7-8,10H,2-6H2,1H3
InChIKeyAOLNGYDWALIVDJ-UHFFFAOYSA-N
MW225.74 g/mol
LogP1.33
Rot. Bonds3

About N-[4-(chloromethyl)cyclohexyl]methanesulfonamide

N-[4-(chloromethyl)cyclohexyl]methanesulfonamide (PubChem CID 126979721) has the molecular formula C8H16ClNO2S and a molecular weight of 225.74 g/mol. Its IUPAC name is N-[4-(chloromethyl)cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)cyclohexyl]methanesulfonamide
PubChem CID126979721
Molecular FormulaC8H16ClNO2S
Molecular Weight225.74 g/mol
Exact Mass225.06
IUPAC NameN-[4-(chloromethyl)cyclohexyl]methanesulfonamide
SMILESCS(=O)(=O)NC1CCC(CCl)CC1
InChIInChI=1S/C8H16ClNO2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h7-8,10H,2-6H2,1H3
InChIKeyAOLNGYDWALIVDJ-UHFFFAOYSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.74
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-(chloromethyl)cyclohexyl]methanesulfonamide (CID 126979721) is N-[4-(chloromethyl)cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-(chloromethyl)cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-(chloromethyl)cyclohexyl]methanesulfonamide is CS(=O)(=O)NC1CCC(CCl)CC1.
What is the InChIKey of N-[4-(chloromethyl)cyclohexyl]methanesulfonamide?
The InChIKey is AOLNGYDWALIVDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO2S/c1-13(11,12)10-8-4-2-7(6-9)3-5-8/h7-8,10H,2-6H2,1H3.
What are the key properties of N-[4-(chloromethyl)cyclohexyl]methanesulfonamide?
N-[4-(chloromethyl)cyclohexyl]methanesulfonamide has a molecular weight of 225.74 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)cyclohexyl]methanesulfonamide is sourced from PubChem (CID 126979721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).