N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

C10H17BrF3NO2S — CID 114148184

IUPACN-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CCC(Br)C1
InChIInChI=1S/C10H17BrF3NO2S/c11-9-3-2-8(6-9)7-15-18(16,17)5-1-4-10(12,13)14/h8-9,15H,1-7H2
InChIKeyYYHNOXWMYLIMFU-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.81
Rot. Bonds6

About N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 114148184) has the molecular formula C10H17BrF3NO2S and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID114148184
Molecular FormulaC10H17BrF3NO2S
Molecular Weight352.22 g/mol
Exact Mass351.01
IUPAC NameN-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CCC(Br)C1
InChIInChI=1S/C10H17BrF3NO2S/c11-9-3-2-8(6-9)7-15-18(16,17)5-1-4-10(12,13)14/h8-9,15H,1-7H2
InChIKeyYYHNOXWMYLIMFU-UHFFFAOYSA-N
XLogP2.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.22
LogP ≤ 52.81
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-bromocyclohexyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058116
N-(4-bromo-2-ethylbutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83058544
N-[[1-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058817
N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058945
N-[(2-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060154
N-[1-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060155
N-[2-(2-bromoethyl)pentyl]-1,1-difluoromethanesulfonamide
CID 106118369
N-[(3-bromocyclopentyl)methyl]-1,1-difluoromethanesulfonamide
CID 106135086
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-bromo-3-ethylpentyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106288626
N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367493

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 114148184) is N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is YYHNOXWMYLIMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2S/c11-9-3-2-8(6-9)7-15-18(16,17)5-1-4-10(12,13)14/h8-9,15H,1-7H2.
What are the key properties of N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 352.22 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 114148184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).