3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide

C15H16F2N2O3S — CID 100627300

IUPAC3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide
SMILESC[C@H](COc1ccc(F)c(F)c1)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16F2N2O3S/c1-10(9-22-12-5-6-14(16)15(17)8-12)19-11-3-2-4-13(7-11)23(18,20)21/h2-8,10,19H,9H2,1H3,(H2,18,20,21)/t10-/m1/s1
InChIKeyOOZJHMWLKIMNCK-SNVBAGLBSA-N
MW342.37 g/mol
LogP2.49
Rot. Bonds6

About 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide

3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide (PubChem CID 100627300) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide
PubChem CID100627300
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC Name3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide
SMILESC[C@H](COc1ccc(F)c(F)c1)Nc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C15H16F2N2O3S/c1-10(9-22-12-5-6-14(16)15(17)8-12)19-11-3-2-4-13(7-11)23(18,20)21/h2-8,10,19H,9H2,1H3,(H2,18,20,21)/t10-/m1/s1
InChIKeyOOZJHMWLKIMNCK-SNVBAGLBSA-N
XLogP2.49
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(2,6-difluorophenyl)ethylamino]benzenesulfonamide
CID 43098562
N-[1-(3,4-difluorophenoxy)propan-2-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
CID 75472465
4-[1-(4-fluorophenoxy)propan-2-ylamino]-3-nitrobenzenesulfonamide
CID 47520078
3-(3-bromo-4-fluorophenoxy)-2-methylpropane-1-sulfonamide
CID 83234776
N-[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]-1-propylpyrazol-4-amine
CID 97338534
3-(2-methylpropoxy)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629546
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine
CID 86262545
3-[(2-methyl-1-phenylpropyl)amino]benzenesulfonamide
CID 43761251
2-(3-chloro-4-fluorophenoxy)-N-[1-(3-sulfamoylphenyl)ethyl]acetamide
CID 134002717
1-(3,4-difluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262544
[2-oxo-2-(3-sulfamoylanilino)ethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8865196

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide?
The IUPAC name of 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide (CID 100627300) is 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide is C[C@H](COc1ccc(F)c(F)c1)Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide?
The InChIKey is OOZJHMWLKIMNCK-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-10(9-22-12-5-6-14(16)15(17)8-12)19-11-3-2-4-13(7-11)23(18,20)21/h2-8,10,19H,9H2,1H3,(H2,18,20,21)/t10-/m1/s1.
What are the key properties of 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide?
3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide has a molecular weight of 342.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-1-(3,4-difluorophenoxy)propan-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 100627300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).