2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine

C13H19F2NO2S — CID 64645532

IUPAC2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2S/c1-4-12(16-5-2)9(3)19(17,18)13-8-10(14)6-7-11(13)15/h6-9,12,16H,4-5H2,1-3H3
InChIKeyNVAWSZUDKQRQIK-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.52
Rot. Bonds6

About 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine

2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine (PubChem CID 64645532) has the molecular formula C13H19F2NO2S and a molecular weight of 291.36 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
PubChem CID64645532
Molecular FormulaC13H19F2NO2S
Molecular Weight291.36 g/mol
Exact Mass291.11
IUPAC Name2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine
SMILESCCNC(CC)C(C)S(=O)(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H19F2NO2S/c1-4-12(16-5-2)9(3)19(17,18)13-8-10(14)6-7-11(13)15/h6-9,12,16H,4-5H2,1-3H3
InChIKeyNVAWSZUDKQRQIK-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64639433
2-(4-tert-butylphenyl)sulfonyl-N-ethylpentan-3-amine
CID 64645434
1-(2,4-difluorophenyl)-N-ethyl-3-methylsulfonylbutan-2-amine
CID 104519997
2-(4-fluorophenyl)sulfonyl-N-propylpentan-3-amine
CID 64640406
2,5-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzenesulfonamide
CID 79255910
N-(1-bromopropan-2-yl)-2,5-difluoro-N-methylbenzenesulfonamide
CID 104556434
N-[1-(4-butan-2-ylphenyl)propyl]-2,5-difluorobenzenesulfonamide
CID 22201214
1-(2,5-difluorophenyl)sulfonyl-N-methylpropan-2-amine
CID 64647520
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
N-ethyl-2-(4-nitrophenyl)sulfonylpentan-3-amine
CID 64645910
N-[2-[di(propan-2-yl)amino]ethyl]-2,5-difluorobenzenesulfonamide
CID 78808057
1-(2,4-difluorophenyl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 113422000

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine?
The IUPAC name of 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine (CID 64645532) is 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine is CCNC(CC)C(C)S(=O)(=O)c1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine?
The InChIKey is NVAWSZUDKQRQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO2S/c1-4-12(16-5-2)9(3)19(17,18)13-8-10(14)6-7-11(13)15/h6-9,12,16H,4-5H2,1-3H3.
What are the key properties of 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine?
2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine has a molecular weight of 291.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfonyl-N-ethylpentan-3-amine is sourced from PubChem (CID 64645532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).