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

C10H17ClF3NO2S — CID 83059586

IUPACN-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1(CCl)CCCC1
InChIInChI=1S/C10H17ClF3NO2S/c11-8-9(4-1-2-5-9)15-18(16,17)7-3-6-10(12,13)14/h15H,1-8H2
InChIKeyZAOIYCDCTGKFLR-UHFFFAOYSA-N
MW307.77 g/mol
LogP2.80
Rot. Bonds6

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

N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83059586) has the molecular formula C10H17ClF3NO2S and a molecular weight of 307.77 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83059586
Molecular FormulaC10H17ClF3NO2S
Molecular Weight307.77 g/mol
Exact Mass307.06
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1(CCl)CCCC1
InChIInChI=1S/C10H17ClF3NO2S/c11-8-9(4-1-2-5-9)15-18(16,17)7-3-6-10(12,13)14/h15H,1-8H2
InChIKeyZAOIYCDCTGKFLR-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.77
LogP ≤ 52.80
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-[1-(chloromethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 65030570
N-[3-(chloromethyl)pentan-3-yl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058250
N-[(2-chlorocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058667
N-[[1-(chloromethyl)cyclopentyl]methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83058946
N-[1-(chloromethyl)cyclohexyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 83060150
N-[(3-chlorocyclopentyl)methyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106135350
N-(1-chloro-3-methylpentan-3-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 106170298
N-[2-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide
CID 106367593
3-chloro-N-(1-methylcyclopentyl)propane-1-sulfonamide
CID 61368525
N-[1-(chloromethyl)cyclopentyl]-1-cyclopropylmethanesulfonamide
CID 65030626
N-[1-(chloromethyl)cyclopentyl]-2,2-dimethylpropane-1-sulfonamide
CID 65030979
N-[1-(chloromethyl)cyclopentyl]propane-2-sulfonamide
CID 65031084

Frequently Asked Questions

What is the IUPAC name of N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide (CID 83059586) is N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is ZAOIYCDCTGKFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO2S/c11-8-9(4-1-2-5-9)15-18(16,17)7-3-6-10(12,13)14/h15H,1-8H2.
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide?
N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 307.77 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83059586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).