N-(3,3-difluoropropyl)methanesulfonamide

C4H9F2NO2S — CID 126994255

IUPACN-(3,3-difluoropropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-10(8,9)7-3-2-4(5)6/h4,7H,2-3H2,1H3
InChIKeyYWYHSESSKBMOBC-UHFFFAOYSA-N
MW173.18 g/mol
LogP0.19
Rot. Bonds4

About N-(3,3-difluoropropyl)methanesulfonamide

N-(3,3-difluoropropyl)methanesulfonamide (PubChem CID 126994255) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)methanesulfonamide
PubChem CID126994255
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC NameN-(3,3-difluoropropyl)methanesulfonamide
SMILESCS(=O)(=O)NCCC(F)F
InChIInChI=1S/C4H9F2NO2S/c1-10(8,9)7-3-2-4(5)6/h4,7H,2-3H2,1H3
InChIKeyYWYHSESSKBMOBC-UHFFFAOYSA-N
XLogP0.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl perfluorobutanesulfonamide
CID 14661392
N-propylmethanesulfonamide
CID 235967
N-Ethyl-1,1,1-trifluoromethanesulfonamide
CID 11229101
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
1,1,1-trifluoro-N-hexylmethanesulfonamide
CID 58427693
1,1,1-trifluoro-N-(2-methylpropyl)methanesulfonamide
CID 58427695
Ethylammonium trifluoromethane sulfonate
CID 88926541
N-ethyl perfluoropropane sulfonamide
CID 129294817
N-(3-aminopropyl)-1,1-difluoromethanesulfonamide hydrochloride
CID 137935095
1,1,1-Trifluoro-N-(2-methylbutyl)methanesulfonamide
CID 72183447
1,1,1-trifluoro-N-pentan-3-ylmethanesulfonamide
CID 166445234

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)methanesulfonamide?
The IUPAC name of N-(3,3-difluoropropyl)methanesulfonamide (CID 126994255) is N-(3,3-difluoropropyl)methanesulfonamide.
What is the SMILES notation for N-(3,3-difluoropropyl)methanesulfonamide?
The canonical SMILES for N-(3,3-difluoropropyl)methanesulfonamide is CS(=O)(=O)NCCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)methanesulfonamide?
The InChIKey is YWYHSESSKBMOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c1-10(8,9)7-3-2-4(5)6/h4,7H,2-3H2,1H3.
What are the key properties of N-(3,3-difluoropropyl)methanesulfonamide?
N-(3,3-difluoropropyl)methanesulfonamide has a molecular weight of 173.18 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)methanesulfonamide is sourced from PubChem (CID 126994255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).