3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide

C11H16F2N2O2S — CID 62615783

IUPAC3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2O2S/c12-10-6-9(7-11(13)8-10)2-4-15-18(16,17)5-1-3-14/h6-8,15H,1-5,14H2
InChIKeyCUNBRJSPHGKNPB-UHFFFAOYSA-N
MW278.32 g/mol
LogP0.78
Rot. Bonds7

About 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide

3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide (PubChem CID 62615783) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
PubChem CID62615783
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide
SMILESNCCCS(=O)(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C11H16F2N2O2S/c12-10-6-9(7-11(13)8-10)2-4-15-18(16,17)5-1-3-14/h6-8,15H,1-5,14H2
InChIKeyCUNBRJSPHGKNPB-UHFFFAOYSA-N
XLogP0.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(3-fluorophenyl)ethyl]propane-1-sulfonamide
CID 54944387
N-[2-(3,5-difluorophenyl)ethyl]ethanesulfonamide
CID 62304575
5-amino-N-[2-[3-(cyclopropylmethoxy)-5-fluorophenyl]ethyl]pentane-1-sulfonamide
CID 134546050
4-amino-N-[2-(3-methylphenyl)ethyl]butane-1-sulfonamide
CID 62313210
4-amino-N-[2-(2-fluorophenyl)ethyl]butane-1-sulfonamide
CID 54952610
3-chloro-N-[2-(3,5-difluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 79586151
4-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butane-1-sulfonamide
CID 61456383
N-[2-(3,5-difluorophenyl)ethyl]-1-piperidin-4-ylmethanesulfonamide
CID 62617015
3-amino-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propane-1-sulfonamide
CID 106415621
6-amino-N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]hexane-1-sulfonamide
CID 134542398
3-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]propane-1-sulfonamide
CID 106049134
2-amino-N-[2-(3,5-difluorophenyl)ethyl]benzenesulfonamide
CID 62605153

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide (CID 62615783) is 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide is NCCCS(=O)(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide?
The InChIKey is CUNBRJSPHGKNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c12-10-6-9(7-11(13)8-10)2-4-15-18(16,17)5-1-3-14/h6-8,15H,1-5,14H2.
What are the key properties of 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide?
3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide has a molecular weight of 278.32 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,5-difluorophenyl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 62615783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).