N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide

C9H17BrFNO2S — CID 123680333

IUPACN-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide
SMILESO=S(=O)(CC1CCC(F)CC1)NCCBr
InChIInChI=1S/C9H17BrFNO2S/c10-5-6-12-15(13,14)7-8-1-3-9(11)4-2-8/h8-9,12H,1-7H2
InChIKeyIFHNHDGYBOMQFN-UHFFFAOYSA-N
MW302.21 g/mol
LogP1.83
Rot. Bonds5

About N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide

N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide (PubChem CID 123680333) has the molecular formula C9H17BrFNO2S and a molecular weight of 302.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide
PubChem CID123680333
Molecular FormulaC9H17BrFNO2S
Molecular Weight302.21 g/mol
Exact Mass301.01
IUPAC NameN-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide
SMILESO=S(=O)(CC1CCC(F)CC1)NCCBr
InChIInChI=1S/C9H17BrFNO2S/c10-5-6-12-15(13,14)7-8-1-3-9(11)4-2-8/h8-9,12H,1-7H2
InChIKeyIFHNHDGYBOMQFN-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 51.83
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-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide (CID 123680333) is N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide is O=S(=O)(CC1CCC(F)CC1)NCCBr.
What is the InChIKey of N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide?
The InChIKey is IFHNHDGYBOMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrFNO2S/c10-5-6-12-15(13,14)7-8-1-3-9(11)4-2-8/h8-9,12H,1-7H2.
What are the key properties of N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide?
N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide has a molecular weight of 302.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-1-(4-fluorocyclohexyl)methanesulfonamide is sourced from PubChem (CID 123680333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).