N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide

C10H18BrF2NO2S — CID 107492737

IUPACN-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CCBr)CC(F)F
InChIInChI=1S/C10H18BrF2NO2S/c11-6-7-14(8-10(12)13)17(15,16)9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyAQVXBYVMVHFGCS-UHFFFAOYSA-N
MW334.23 g/mol
LogP2.61
Rot. Bonds6

About N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide

N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide (PubChem CID 107492737) has the molecular formula C10H18BrF2NO2S and a molecular weight of 334.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide
PubChem CID107492737
Molecular FormulaC10H18BrF2NO2S
Molecular Weight334.23 g/mol
Exact Mass333.02
IUPAC NameN-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide
SMILESO=S(=O)(C1CCCCC1)N(CCBr)CC(F)F
InChIInChI=1S/C10H18BrF2NO2S/c11-6-7-14(8-10(12)13)17(15,16)9-4-2-1-3-5-9/h9-10H,1-8H2
InChIKeyAQVXBYVMVHFGCS-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.23
LogP ≤ 52.61
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 N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide?
The IUPAC name of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide (CID 107492737) is N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide is O=S(=O)(C1CCCCC1)N(CCBr)CC(F)F.
What is the InChIKey of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide?
The InChIKey is AQVXBYVMVHFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrF2NO2S/c11-6-7-14(8-10(12)13)17(15,16)9-4-2-1-3-5-9/h9-10H,1-8H2.
What are the key properties of N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide?
N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide has a molecular weight of 334.23 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2,2-difluoroethyl)cyclohexanesulfonamide is sourced from PubChem (CID 107492737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).