N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide

C8H14BrF2NO2S — CID 106136161

IUPACN-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)CC1)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-7-3-1-6(2-4-7)5-12-15(13,14)8(10)11/h6-8,12H,1-5H2
InChIKeyPNNAPQHQAXXTGX-UHFFFAOYSA-N
MW306.17 g/mol
LogP2.08
Rot. Bonds4

About N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide

N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 106136161) has the molecular formula C8H14BrF2NO2S and a molecular weight of 306.17 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID106136161
Molecular FormulaC8H14BrF2NO2S
Molecular Weight306.17 g/mol
Exact Mass304.99
IUPAC NameN-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)CC1)C(F)F
InChIInChI=1S/C8H14BrF2NO2S/c9-7-3-1-6(2-4-7)5-12-15(13,14)8(10)11/h6-8,12H,1-5H2
InChIKeyPNNAPQHQAXXTGX-UHFFFAOYSA-N
XLogP2.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-bromocyclohexyl)methyl]-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

Related Compounds

N-[(2-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058116
1-bromo-N-[2-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83092336
1-bromo-N-[4-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83092430
1-bromo-N-[3-(trifluoromethyl)cyclohexyl]methanesulfonamide
CID 83093754
N-[[1-(bromomethyl)cyclohexyl]methyl]-1,1-difluoromethanesulfonamide
CID 103969934
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135086
N-[(3-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135902
N-[(3-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106135946
N-[(4-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106136190
N-[2-(bromomethyl)cyclohexyl]-1,1-difluoromethanesulfonamide
CID 106367663
N-[(2-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 114293659

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide (CID 106136161) is N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CCC(Br)CC1)C(F)F.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is PNNAPQHQAXXTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2S/c9-7-3-1-6(2-4-7)5-12-15(13,14)8(10)11/h6-8,12H,1-5H2.
What are the key properties of N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 306.17 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106136161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).