3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine

C10H13F2NO2S — CID 64698220

IUPAC3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2S/c1-7(5-13)6-16(14,15)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6,13H2,1H3
InChIKeyFGEBWOUJYHZLKB-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.33
Rot. Bonds4

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

3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine (PubChem CID 64698220) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
PubChem CID64698220
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine
SMILESCC(CN)CS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C10H13F2NO2S/c1-7(5-13)6-16(14,15)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6,13H2,1H3
InChIKeyFGEBWOUJYHZLKB-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluoro-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036265
1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
1-cyclopropyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 64646053
2-(3-bromo-2-methylpropyl)sulfonyl-1,4-difluorobenzene
CID 64995930
5-fluoro-2-(2-methylpropylsulfonyl)aniline
CID 81185051
N-(4-amino-2-methylbutyl)-2,4-difluorobenzenesulfonamide
CID 66091851
1-cyclopentyl-2-(2,4-difluorophenyl)sulfonylethanamine
CID 104753985
1-(2-amino-4-fluorophenyl)sulfonylpropan-2-ol
CID 107889509
3-(4-methoxy-2-methylphenyl)sulfonyl-2-methylpropan-1-amine
CID 117036267
1-(2-chloroethylsulfonyl)-2,4-difluorobenzene
CID 43345431
1-(2,4-difluorophenyl)sulfonyl-3-(propylamino)propan-2-ol
CID 115476595

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine?
The IUPAC name of 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine (CID 64698220) is 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine is CC(CN)CS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine?
The InChIKey is FGEBWOUJYHZLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7(5-13)6-16(14,15)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine?
3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine has a molecular weight of 249.28 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)sulfonyl-2-methylpropan-1-amine is sourced from PubChem (CID 64698220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).