1-(2,4-difluorophenyl)sulfonylbutan-2-amine

C10H13F2NO2S — CID 64645054

IUPAC1-(2,4-difluorophenyl)sulfonylbutan-2-amine
SMILESCCC(N)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2S/c1-2-8(13)6-16(14,15)10-4-3-7(11)5-9(10)12/h3-5,8H,2,6,13H2,1H3
InChIKeyNTCSFGCWDKBEBI-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.48
Rot. Bonds4

About 1-(2,4-difluorophenyl)sulfonylbutan-2-amine

1-(2,4-difluorophenyl)sulfonylbutan-2-amine (PubChem CID 64645054) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)sulfonylbutan-2-amine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)sulfonylbutan-2-amine
PubChem CID64645054
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name1-(2,4-difluorophenyl)sulfonylbutan-2-amine
SMILESCCC(N)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2S/c1-2-8(13)6-16(14,15)10-4-3-7(11)5-9(10)12/h3-5,8H,2,6,13H2,1H3
InChIKeyNTCSFGCWDKBEBI-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
CID 64698220
1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 64646053
1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476595
1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
CID 64673553
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
2,4-difluoro-1-methylsulfonylbenzene
CID 2758336
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
N-(2-ethylbutyl)-2,4-difluorobenzenesulfonamide
CID 84547716
4-(2,4-difluorophenyl)sulfonyl-2,2-dimethylbutanenitrile
CID 65262832

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)sulfonylbutan-2-amine?
The IUPAC name of 1-(2,4-difluorophenyl)sulfonylbutan-2-amine (CID 64645054) is 1-(2,4-difluorophenyl)sulfonylbutan-2-amine.
What is the SMILES notation for 1-(2,4-difluorophenyl)sulfonylbutan-2-amine?
The canonical SMILES for 1-(2,4-difluorophenyl)sulfonylbutan-2-amine is CCC(N)CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)sulfonylbutan-2-amine?
The InChIKey is NTCSFGCWDKBEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-2-8(13)6-16(14,15)10-4-3-7(11)5-9(10)12/h3-5,8H,2,6,13H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)sulfonylbutan-2-amine?
1-(2,4-difluorophenyl)sulfonylbutan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)sulfonylbutan-2-amine is sourced from PubChem (CID 64645054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).