1-bromo-N,N-dicyclohexylmethanesulfonamide

C13H24BrNO2S — CID 83083795

IUPAC1-bromo-N,N-dicyclohexylmethanesulfonamide
SMILESO=S(=O)(CBr)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-11-18(16,17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKeyQSUVVIPANUQTEC-UHFFFAOYSA-N
MW338.31 g/mol
LogP3.64
Rot. Bonds4

About 1-bromo-N,N-dicyclohexylmethanesulfonamide

1-bromo-N,N-dicyclohexylmethanesulfonamide (PubChem CID 83083795) has the molecular formula C13H24BrNO2S and a molecular weight of 338.31 g/mol. Its IUPAC name is 1-bromo-N,N-dicyclohexylmethanesulfonamide.

Molecular Properties

Compound Name1-bromo-N,N-dicyclohexylmethanesulfonamide
PubChem CID83083795
Molecular FormulaC13H24BrNO2S
Molecular Weight338.31 g/mol
Exact Mass337.07
IUPAC Name1-bromo-N,N-dicyclohexylmethanesulfonamide
SMILESO=S(=O)(CBr)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C13H24BrNO2S/c14-11-18(16,17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2
InChIKeyQSUVVIPANUQTEC-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.31
LogP ≤ 53.64
H-Bond Donors ≤ 50
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 1-bromo-N,N-dicyclohexylmethanesulfonamide?
The IUPAC name of 1-bromo-N,N-dicyclohexylmethanesulfonamide (CID 83083795) is 1-bromo-N,N-dicyclohexylmethanesulfonamide.
What is the SMILES notation for 1-bromo-N,N-dicyclohexylmethanesulfonamide?
The canonical SMILES for 1-bromo-N,N-dicyclohexylmethanesulfonamide is O=S(=O)(CBr)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-bromo-N,N-dicyclohexylmethanesulfonamide?
The InChIKey is QSUVVIPANUQTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2S/c14-11-18(16,17)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h12-13H,1-11H2.
What are the key properties of 1-bromo-N,N-dicyclohexylmethanesulfonamide?
1-bromo-N,N-dicyclohexylmethanesulfonamide has a molecular weight of 338.31 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N,N-dicyclohexylmethanesulfonamide is sourced from PubChem (CID 83083795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).