2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol

C18H23NO3S — CID 110184970

IUPAC2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol
SMILESCc1ccc(S(=O)(=O)CCNC(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3S/c1-14-8-10-17(11-9-14)23(21,22)13-12-19-15(2)18(20)16-6-4-3-5-7-16/h3-11,15,18-20H,12-13H2,1-2H3
InChIKeyQMSSXRXBMNLMKG-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.48
Rot. Bonds7

About 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol

2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol (PubChem CID 110184970) has the molecular formula C18H23NO3S and a molecular weight of 333.45 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol
PubChem CID110184970
Molecular FormulaC18H23NO3S
Molecular Weight333.45 g/mol
Exact Mass333.14
IUPAC Name2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol
SMILESCc1ccc(S(=O)(=O)CCNC(C)C(O)c2ccccc2)cc1
InChIInChI=1S/C18H23NO3S/c1-14-8-10-17(11-9-14)23(21,22)13-12-19-15(2)18(20)16-6-4-3-5-7-16/h3-11,15,18-20H,12-13H2,1-2H3
InChIKeyQMSSXRXBMNLMKG-UHFFFAOYSA-N
XLogP2.48
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-4-methylbenzenesulfonamide
CID 11162537
(1R,2S)-1-(4-methylphenyl)-2-(2-phenylethylamino)propan-1-ol
CID 95511838
[(1-hydroxy-1-phenylpropan-2-yl)amino] 4-methylbenzenesulfonate
CID 91116728
(1S,2R)-1-phenyl-2-(propylamino)propan-1-ol
CID 14697423
1-(4-methylphenyl)-2-(propylamino)propan-1-ol
CID 82312296
(1R,2S)-2-(aminomethylamino)-1-phenylpropan-1-ol
CID 142004415
N-[3-[[1-hydroxy-1-(4-methylphenyl)propan-2-yl]amino]propyl]acetamide
CID 82312351
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
N-(2-methyl-1-phenylpropyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 18200681
N-[(1R,2R)-2-hydroxy-1,2-diphenylethyl]-4-methylbenzenesulfonamide
CID 101415402
3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-phenylpropan-1-one
CID 122190791
N-methyl-3-(4-methylphenyl)sulfonyl-N-(1-phenylethyl)propanamide
CID 78799694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol?
The IUPAC name of 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol (CID 110184970) is 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol is Cc1ccc(S(=O)(=O)CCNC(C)C(O)c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol?
The InChIKey is QMSSXRXBMNLMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3S/c1-14-8-10-17(11-9-14)23(21,22)13-12-19-15(2)18(20)16-6-4-3-5-7-16/h3-11,15,18-20H,12-13H2,1-2H3.
What are the key properties of 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol?
2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol has a molecular weight of 333.45 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)sulfonylethylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 110184970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).