N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide

C7H13F2NO2S — CID 126991400

IUPACN-[1-(difluoromethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(C(F)F)CCCC1
InChIInChI=1S/C7H13F2NO2S/c1-13(11,12)10-7(6(8)9)4-2-3-5-7/h6,10H,2-5H2,1H3
InChIKeyFLQXLWBKMAXJMP-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.11
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide

N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide (PubChem CID 126991400) has the molecular formula C7H13F2NO2S and a molecular weight of 213.25 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopentyl]methanesulfonamide
PubChem CID126991400
Molecular FormulaC7H13F2NO2S
Molecular Weight213.25 g/mol
Exact Mass213.06
IUPAC NameN-[1-(difluoromethyl)cyclopentyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(C(F)F)CCCC1
InChIInChI=1S/C7H13F2NO2S/c1-13(11,12)10-7(6(8)9)4-2-3-5-7/h6,10H,2-5H2,1H3
InChIKeyFLQXLWBKMAXJMP-UHFFFAOYSA-N
XLogP1.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(1-methylcyclopentyl)methanesulfonamide
CID 177855032
N-[1-(aminomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 28940526
1-(Difluoromethylsulfonylamino)cyclopentane-1-carbothioamide
CID 61124457
N-(1-cyanocyclopentyl)-1,1-difluoromethanesulfonamide
CID 61124865
N-[1-(bromomethyl)cyclopentyl]-1,1-difluoromethanesulfonamide
CID 114297097
1,1-difluoro-N-(3-methylcyclopentyl)methanesulfonamide
CID 114545159
1,1-difluoro-N-(2-methylcyclopentyl)methanesulfonamide
CID 130677308
1-(Difluoromethyl)-1-(sulfamoylamino)cyclopentane
CID 130943844
N-(1-methylcyclopentyl)methanesulfonamide
CID 61688020

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide (CID 126991400) is N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide is CS(=O)(=O)NC1(C(F)F)CCCC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide?
The InChIKey is FLQXLWBKMAXJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2S/c1-13(11,12)10-7(6(8)9)4-2-3-5-7/h6,10H,2-5H2,1H3.
What are the key properties of N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide?
N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide has a molecular weight of 213.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopentyl]methanesulfonamide is sourced from PubChem (CID 126991400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).