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

C11H19BrF3NO2S — CID 83058945

IUPACN-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CCCC1CBr
InChIInChI=1S/C11H19BrF3NO2S/c12-7-9-3-1-4-10(9)8-16-19(17,18)6-2-5-11(13,14)15/h9-10,16H,1-8H2
InChIKeyXLYNSFIJHCQOCZ-UHFFFAOYSA-N
MW366.24 g/mol
LogP3.06
Rot. Bonds7

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

N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83058945) has the molecular formula C11H19BrF3NO2S and a molecular weight of 366.24 g/mol. Its IUPAC name is N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83058945
Molecular FormulaC11H19BrF3NO2S
Molecular Weight366.24 g/mol
Exact Mass365.03
IUPAC NameN-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NCC1CCCC1CBr
InChIInChI=1S/C11H19BrF3NO2S/c12-7-9-3-1-4-10(9)8-16-19(17,18)6-2-5-11(13,14)15/h9-10,16H,1-8H2
InChIKeyXLYNSFIJHCQOCZ-UHFFFAOYSA-N
XLogP3.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.24
LogP ≤ 53.06
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

CID 83058116
CID 83058116
CID 83058817
CID 83058817
CID 83058818
CID 83058818
CID 83059123
CID 83059123
CID 83060154
CID 83060154
CID 106135946
CID 106135946
CID 106136190
CID 106136190
CID 106367493
CID 106367493
CID 106367694
CID 106367694
CID 114145887
CID 114145887
CID 114148184
CID 114148184
CID 114151719
CID 114151719

Frequently Asked Questions

What is the IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83058945) is N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NCC1CCCC1CBr.
What is the InChIKey of N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XLYNSFIJHCQOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3NO2S/c12-7-9-3-1-4-10(9)8-16-19(17,18)6-2-5-11(13,14)15/h9-10,16H,1-8H2.
What are the key properties of N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 366.24 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(bromomethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83058945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).