3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide

C16H20N2O2S — CID 81351259

IUPAC3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCC(N[C@H](C)c1ccccc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H20N2O2S/c1-12(14-7-4-3-5-8-14)18-13(2)15-9-6-10-16(11-15)21(17,19)20/h3-13,18H,1-2H3,(H2,17,19,20)/t12-,13?/m1/s1
InChIKeyYHAKRRMKQYONBF-PZORYLMUSA-N
MW304.42 g/mol
LogP2.75
Rot. Bonds5

About 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide

3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide (PubChem CID 81351259) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
PubChem CID81351259
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
SMILESCC(N[C@H](C)c1ccccc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C16H20N2O2S/c1-12(14-7-4-3-5-8-14)18-13(2)15-9-6-10-16(11-15)21(17,19)20/h3-13,18H,1-2H3,(H2,17,19,20)/t12-,13?/m1/s1
InChIKeyYHAKRRMKQYONBF-PZORYLMUSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-[1-[[(1R)-1-(furan-2-yl)ethyl]amino]ethyl]benzenesulfonamide
CID 81402634
3-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]benzenesulfonamide
CID 81398945
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
3-[1-(1-cyclopropylethylamino)ethyl]benzenesulfonamide
CID 43776526
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
3-[1-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]ethyl]benzenesulfonamide
CID 115898575
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
3-[1-(2,6-difluoroanilino)ethyl]benzenesulfonamide
CID 43773070
3-[1-[1-(oxan-4-yl)ethylamino]ethyl]benzenesulfonamide
CID 103911153
3-[1-(cyclobutylamino)ethyl]benzenesulfonamide
CID 62414933

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide (CID 81351259) is 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide is CC(N[C@H](C)c1ccccc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide?
The InChIKey is YHAKRRMKQYONBF-PZORYLMUSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-12(14-7-4-3-5-8-14)18-13(2)15-9-6-10-16(11-15)21(17,19)20/h3-13,18H,1-2H3,(H2,17,19,20)/t12-,13?/m1/s1.
What are the key properties of 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide?
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide has a molecular weight of 304.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 81351259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).