N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide

C7H12BrF2NO2S — CID 106135086

IUPACN-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-6-2-1-5(3-6)4-11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyVDTGNAQEOQOHBM-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.69
Rot. Bonds4

About N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide

N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 106135086) has the molecular formula C7H12BrF2NO2S and a molecular weight of 292.15 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID106135086
Molecular FormulaC7H12BrF2NO2S
Molecular Weight292.15 g/mol
Exact Mass290.97
IUPAC NameN-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CCC(Br)C1)C(F)F
InChIInChI=1S/C7H12BrF2NO2S/c8-6-2-1-5(3-6)4-11-14(12,13)7(9)10/h5-7,11H,1-4H2
InChIKeyVDTGNAQEOQOHBM-UHFFFAOYSA-N
XLogP1.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
N-[(3-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135902
N-[(4-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 106136161
N-(5-bromo-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 106158712
N-[2-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 106367461
N-(2-bromo-4-methylpentyl)-1,1-difluoromethanesulfonamide
CID 107158216
N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 114148184
N-[(2-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 114293659
N-[[2-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 114295253
N-[(2-bromocyclohexyl)methyl]-1,1-difluoromethanesulfonamide
CID 114297517
N-[[1-(bromomethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
CID 115365110

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide (CID 106135086) is N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CCC(Br)C1)C(F)F.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is VDTGNAQEOQOHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrF2NO2S/c8-6-2-1-5(3-6)4-11-14(12,13)7(9)10/h5-7,11H,1-4H2.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 292.15 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 106135086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).