N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

C8H14ClF2NO2S — CID 115365177

IUPACN-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCC1)C(F)F
InChIInChI=1S/C8H14ClF2NO2S/c9-5-8(3-1-2-4-8)6-12-15(13,14)7(10)11/h7,12H,1-6H2
InChIKeyPQPZCCITVDZING-UHFFFAOYSA-N
MW261.72 g/mol
LogP1.93
Rot. Bonds5

About N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide

N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (PubChem CID 115365177) has the molecular formula C8H14ClF2NO2S and a molecular weight of 261.72 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
PubChem CID115365177
Molecular FormulaC8H14ClF2NO2S
Molecular Weight261.72 g/mol
Exact Mass261.04
IUPAC NameN-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1(CCl)CCCC1)C(F)F
InChIInChI=1S/C8H14ClF2NO2S/c9-5-8(3-1-2-4-8)6-12-15(13,14)7(10)11/h7,12H,1-6H2
InChIKeyPQPZCCITVDZING-UHFFFAOYSA-N
XLogP1.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.72
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide (CID 115365177) is N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1(CCl)CCCC1)C(F)F.
What is the InChIKey of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is PQPZCCITVDZING-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClF2NO2S/c9-5-8(3-1-2-4-8)6-12-15(13,14)7(10)11/h7,12H,1-6H2.
What are the key properties of N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide?
N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 261.72 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopentyl]methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 115365177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).