1-(2,5-difluorophenyl)sulfonylpentan-2-amine

C11H15F2NO2S — CID 64647514

IUPAC1-(2,5-difluorophenyl)sulfonylpentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO2S/c1-2-3-9(14)7-17(15,16)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyOAVOFAOAVUSPIQ-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.87
Rot. Bonds5

About 1-(2,5-difluorophenyl)sulfonylpentan-2-amine

1-(2,5-difluorophenyl)sulfonylpentan-2-amine (PubChem CID 64647514) has the molecular formula C11H15F2NO2S and a molecular weight of 263.31 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)sulfonylpentan-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)sulfonylpentan-2-amine
PubChem CID64647514
Molecular FormulaC11H15F2NO2S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name1-(2,5-difluorophenyl)sulfonylpentan-2-amine
SMILESCCCC(N)CS(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO2S/c1-2-3-9(14)7-17(15,16)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3
InChIKeyOAVOFAOAVUSPIQ-UHFFFAOYSA-N
XLogP1.87
TPSA60.16 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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonylbutan-2-amine
CID 64645054
1-(2,5-dichlorophenyl)sulfonylpentan-2-amine
CID 64639823
2-(3-bromo-2-methylpropyl)sulfonyl-1,4-difluorobenzene
CID 64995930
1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
CID 64647520
2-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-1,4-difluorobenzene
CID 64757512
1-(2,5-difluorophenyl)sulfinylpentan-2-amine
CID 64651062
N-(2-aminopentyl)-2-chloro-5-fluorobenzenesulfonamide
CID 86780772
5-(2,5-difluorophenyl)sulfonyl-N-propylpentan-2-amine
CID 64673944
4-(2,5-difluorophenyl)sulfonylbutan-1-amine
CID 64697007
3-amino-4-(2-fluorophenyl)sulfonylbutan-1-ol
CID 64897992
1-(3-chloro-4-fluorophenyl)sulfonylbutan-2-amine
CID 64673553
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)sulfonylpentan-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)sulfonylpentan-2-amine (CID 64647514) is 1-(2,5-difluorophenyl)sulfonylpentan-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)sulfonylpentan-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)sulfonylpentan-2-amine is CCCC(N)CS(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)sulfonylpentan-2-amine?
The InChIKey is OAVOFAOAVUSPIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2S/c1-2-3-9(14)7-17(15,16)11-6-8(12)4-5-10(11)13/h4-6,9H,2-3,7,14H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)sulfonylpentan-2-amine?
1-(2,5-difluorophenyl)sulfonylpentan-2-amine has a molecular weight of 263.31 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)sulfonylpentan-2-amine is sourced from PubChem (CID 64647514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).