1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine

C11H15F2NO2S — CID 64644869

IUPAC1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)(=O)c1ccc(F)c(F)c1)NC
InChIInChI=1S/C11H15F2NO2S/c1-3-8(14-2)7-17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyQHWIFHHEZXXHLR-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.74
Rot. Bonds5

About 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine

1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine (PubChem CID 64644869) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine
PubChem CID64644869
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine
SMILESCCC(CS(=O)(=O)c1ccc(F)c(F)c1)NC
InChIInChI=1S/C11H15F2NO2S/c1-3-8(14-2)7-17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3
InChIKeyQHWIFHHEZXXHLR-UHFFFAOYSA-N
XLogP1.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-methylbutan-2-amine
CID 64647341
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
4-[2-(bromomethyl)-3-methylbutyl]sulfonyl-1,2-difluorobenzene
CID 65012976
3,4-difluoro-N-pent-1-yn-3-ylbenzenesulfonamide
CID 106898664
6-(4-chlorophenyl)sulfonyl-N-methylhexan-3-amine
CID 106807694
1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
CID 64673553
2-(3,4-difluorophenyl)sulfonylethanol
CID 111104635
4-ethylsulfanyl-1,2-difluorobenzene;4-ethylsulfonyl-1,2-difluorobenzene
CID 159777403
5-(3,4-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64645664
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
3,4-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43403537
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-pentan-3-ylpropanamide
CID 99132743

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine (CID 64644869) is 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine is CCC(CS(=O)(=O)c1ccc(F)c(F)c1)NC.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine?
The InChIKey is QHWIFHHEZXXHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-3-8(14-2)7-17(15,16)9-4-5-10(12)11(13)6-9/h4-6,8,14H,3,7H2,1-2H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine?
1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfonyl-N-methylbutan-2-amine is sourced from PubChem (CID 64644869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).