N-(3-fluorobutyl)methanesulfonamide

C5H12FNO2S — CID 127016885

IUPACN-(3-fluorobutyl)methanesulfonamide
SMILESCC(F)CCNS(C)(=O)=O
InChIInChI=1S/C5H12FNO2S/c1-5(6)3-4-7-10(2,8)9/h5,7H,3-4H2,1-2H3
InChIKeyHNGHLOQNNVBQFZ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.28
Rot. Bonds4

About N-(3-fluorobutyl)methanesulfonamide

N-(3-fluorobutyl)methanesulfonamide (PubChem CID 127016885) has the molecular formula C5H12FNO2S and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(3-fluorobutyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-fluorobutyl)methanesulfonamide
PubChem CID127016885
Molecular FormulaC5H12FNO2S
Molecular Weight169.22 g/mol
Exact Mass169.06
IUPAC NameN-(3-fluorobutyl)methanesulfonamide
SMILESCC(F)CCNS(C)(=O)=O
InChIInChI=1S/C5H12FNO2S/c1-5(6)3-4-7-10(2,8)9/h5,7H,3-4H2,1-2H3
InChIKeyHNGHLOQNNVBQFZ-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propylmethanesulfonamide
CID 235967
N-Butyl-1,1,1-trifluoromethanesulfonamide
CID 20566739
1,1,1-trifluoro-N-propylmethanesulfonamide
CID 43258989
N-pentylmethanesulfonamide
CID 4157176
Butan-1-aminium methanesulfonate
CID 88442144
4-Trifluoromethanesulfonamido-1-butylamine
CID 11276038
N-(2,2-difluoropropyl)methanesulfonamide
CID 18686371
N-(2-fluoropropyl)methanesulfonamide
CID 18686378
1,1-difluoro-N-propylmethanesulfonamide
CID 43258994
N-(2-fluoroethyl)methanesulfonamide
CID 57549171
1,1,1-trifluoro-N-pentylmethanesulfonamide
CID 58427682
1,1-difluoro-N-(2-methylpropyl)methanesulfonamide
CID 62735181

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorobutyl)methanesulfonamide?
The IUPAC name of N-(3-fluorobutyl)methanesulfonamide (CID 127016885) is N-(3-fluorobutyl)methanesulfonamide.
What is the SMILES notation for N-(3-fluorobutyl)methanesulfonamide?
The canonical SMILES for N-(3-fluorobutyl)methanesulfonamide is CC(F)CCNS(C)(=O)=O.
What is the InChIKey of N-(3-fluorobutyl)methanesulfonamide?
The InChIKey is HNGHLOQNNVBQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FNO2S/c1-5(6)3-4-7-10(2,8)9/h5,7H,3-4H2,1-2H3.
What are the key properties of N-(3-fluorobutyl)methanesulfonamide?
N-(3-fluorobutyl)methanesulfonamide has a molecular weight of 169.22 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorobutyl)methanesulfonamide is sourced from PubChem (CID 127016885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).