3-(3,4-difluorophenyl)sulfonylbutan-2-amine

C10H13F2NO2S — CID 64644470

IUPAC3-(3,4-difluorophenyl)sulfonylbutan-2-amine
SMILESCC(N)C(C)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-6(13)7(2)16(14,15)8-3-4-9(11)10(12)5-8/h3-7H,13H2,1-2H3
InChIKeyAFPNFPTUVSKRRJ-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.47
Rot. Bonds3

About 3-(3,4-difluorophenyl)sulfonylbutan-2-amine

3-(3,4-difluorophenyl)sulfonylbutan-2-amine (PubChem CID 64644470) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfonylbutan-2-amine.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfonylbutan-2-amine
PubChem CID64644470
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name3-(3,4-difluorophenyl)sulfonylbutan-2-amine
SMILESCC(N)C(C)S(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C10H13F2NO2S/c1-6(13)7(2)16(14,15)8-3-4-9(11)10(12)5-8/h3-7H,13H2,1-2H3
InChIKeyAFPNFPTUVSKRRJ-UHFFFAOYSA-N
XLogP1.47
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluorophenyl)sulfonylethanethiol
CID 147177623
ethyl 2-(3,4-difluorophenyl)sulfonylbutanoate
CID 64662683
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CID 97109516
N-[(2R)-1-aminopropan-2-yl]-3,4-difluorobenzenesulfonamide
CID 104873374
2-(3,4-difluorophenyl)sulfonyl-3-methylhexanenitrile
CID 107886675
3-(3-chloro-4-fluorophenyl)sulfonyl-N-methylbutan-2-amine
CID 64673551
N-(3,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 47271271
N-[3-(1-aminoethyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 43167031
N-(1-amino-4-methylpentan-3-yl)-3,4-difluorobenzenesulfonamide
CID 106357386
N-(3-amino-2-methylpropyl)-3,4-difluoro-N-methylbenzenesulfonamide
CID 54992099
2-(3,4-difluorophenyl)sulfonyl-3-methoxypropanoic acid
CID 103224429
2-(3-chloro-4-fluorophenyl)sulfonylpropanenitrile
CID 55208345

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfonylbutan-2-amine?
The IUPAC name of 3-(3,4-difluorophenyl)sulfonylbutan-2-amine (CID 64644470) is 3-(3,4-difluorophenyl)sulfonylbutan-2-amine.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfonylbutan-2-amine?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfonylbutan-2-amine is CC(N)C(C)S(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfonylbutan-2-amine?
The InChIKey is AFPNFPTUVSKRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-6(13)7(2)16(14,15)8-3-4-9(11)10(12)5-8/h3-7H,13H2,1-2H3.
What are the key properties of 3-(3,4-difluorophenyl)sulfonylbutan-2-amine?
3-(3,4-difluorophenyl)sulfonylbutan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfonylbutan-2-amine is sourced from PubChem (CID 64644470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).