N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide

C13H24BrNO2S — CID 113271021

IUPACN-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-11-13(9-5-2-6-10-13)15-18(16,17)12-7-3-1-4-8-12/h12,15H,1-11H2
InChIKeyCFQNQRCXNGTZQS-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.34
Rot. Bonds4

About N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide

N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide (PubChem CID 113271021) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
PubChem CID113271021
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC NameN-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide
SMILESO=S(=O)(NC1(CBr)CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-11-13(9-5-2-6-10-13)15-18(16,17)12-7-3-1-4-8-12/h12,15H,1-11H2
InChIKeyCFQNQRCXNGTZQS-UHFFFAOYSA-N
XLogP3.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.34
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-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide (CID 113271021) is N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide is O=S(=O)(NC1(CBr)CCCCC1)C1CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
The InChIKey is CFQNQRCXNGTZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-11-13(9-5-2-6-10-13)15-18(16,17)12-7-3-1-4-8-12/h12,15H,1-11H2.
What are the key properties of N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide?
N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]cyclohexanesulfonamide is sourced from PubChem (CID 113271021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).