N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide

C10H17BrF3NO2S — CID 106367493

IUPACN-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCC1CBr
InChIInChI=1S/C10H17BrF3NO2S/c11-7-8-3-1-4-9(8)15-18(16,17)6-2-5-10(12,13)14/h8-9,15H,1-7H2
InChIKeyKQQVZFOQYZFOGD-UHFFFAOYSA-N
MW352.22 g/mol
LogP2.81
Rot. Bonds6

About N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide

N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 106367493) has the molecular formula C10H17BrF3NO2S and a molecular weight of 352.22 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID106367493
Molecular FormulaC10H17BrF3NO2S
Molecular Weight352.22 g/mol
Exact Mass351.01
IUPAC NameN-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CCCC1CBr
InChIInChI=1S/C10H17BrF3NO2S/c11-7-8-3-1-4-9(8)15-18(16,17)6-2-5-10(12,13)14/h8-9,15H,1-7H2
InChIKeyKQQVZFOQYZFOGD-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

3,3,3-trifluoro-N-[(1R,3S)-3-methylcyclopentyl]propane-1-sulfonamide
CID 68316105
N-[(2-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058673
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-(1-bromo-4-methylpentan-2-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83060156
N-[2-(aminomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83068317
N-(1-cyclopentyl-2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 84600262
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97614599
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]propane-1-sulfonamide
CID 97614600
N-[(3-aminocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106125472

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 106367493) is N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is KQQVZFOQYZFOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO2S/c11-7-8-3-1-4-9(8)15-18(16,17)6-2-5-10(12,13)14/h8-9,15H,1-7H2.
What are the key properties of N-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[2-(bromomethyl)cyclopentyl]-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-[2-(bromomethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 106367493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).