1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine

C10H13F2NO2S — CID 64647520

IUPAC1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
SMILESCNC(C)CS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-7(13-2)6-16(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyNHWTYVVKLXMWOB-UHFFFAOYSA-N
MW249.28 g/mol
LogP1.35
Rot. Bonds4

About 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine

1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine (PubChem CID 64647520) has the molecular formula C10H13F2NO2S and a molecular weight of 249.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
PubChem CID64647520
Molecular FormulaC10H13F2NO2S
Molecular Weight249.28 g/mol
Exact Mass249.06
IUPAC Name1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
SMILESCNC(C)CS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C10H13F2NO2S/c1-7(13-2)6-16(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3
InChIKeyNHWTYVVKLXMWOB-UHFFFAOYSA-N
XLogP1.35
TPSA46.17 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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 64995930
2-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-1,4-difluorobenzene
CID 64757512
1-(2,5-difluorophenyl)sulfonylpentan-2-amine
CID 64647514
N-[(2R)-1-aminopropan-2-yl]-2,5-difluorobenzenesulfonamide
CID 104873280
1-(2,4-difluorophenyl)sulfonyl-N-propylpropan-2-amine
CID 64644856
5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64673944
6-(2,4-difluorophenyl)sulfonyl-N-methylhexan-2-amine
CID 64644461
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
N-(3-chlorobutyl)-2,5-difluorobenzenesulfonamide
CID 65032947
3-[(2,5-difluorophenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934796
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine (CID 64647520) is 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine is CNC(C)CS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine?
The InChIKey is NHWTYVVKLXMWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO2S/c1-7(13-2)6-16(14,15)10-5-8(11)3-4-9(10)12/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine?
1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine has a molecular weight of 249.28 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine is sourced from PubChem (CID 64647520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).