N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide

C7H12BrF2NO2S — CID 114295831

IUPACN-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-5-1-3-6(4-2-5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyCFMPRAJRXNDVEW-UHFFFAOYSA-N
MW292.14 g/mol
LogP1.83
Rot. Bonds3

About N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide

N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide (PubChem CID 114295831) has the molecular formula C7H12BrF2NO2S and a molecular weight of 292.14 g/mol. Its IUPAC name is N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide
PubChem CID114295831
Molecular FormulaC7H12BrF2NO2S
Molecular Weight292.14 g/mol
Exact Mass290.97
IUPAC NameN-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CCC(Br)CC1)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-5-1-3-6(4-2-5)11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyCFMPRAJRXNDVEW-UHFFFAOYSA-N
XLogP1.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide (CID 114295831) is N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CCC(Br)CC1)C(F)F.
What is the InChIKey of N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide?
The InChIKey is CFMPRAJRXNDVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO2S/c8-5-1-3-6(4-2-5)11-14(12,13)7(9)10/h5-7,11H,1-4H2.
What are the key properties of N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide?
N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide has a molecular weight of 292.14 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromocyclohexyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 114295831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).