2-(4-ethylsulfonylanilino)propan-1-ol

C11H17NO3S — CID 43500287

IUPAC2-(4-ethylsulfonylanilino)propan-1-ol
SMILESCCS(=O)(=O)c1ccc(NC(C)CO)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)11-6-4-10(5-7-11)12-9(2)8-13/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyQUVIKBKBDLIVMT-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.27
Rot. Bonds5

About 2-(4-ethylsulfonylanilino)propan-1-ol

2-(4-ethylsulfonylanilino)propan-1-ol (PubChem CID 43500287) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(4-ethylsulfonylanilino)propan-1-ol.

Molecular Properties

Compound Name2-(4-ethylsulfonylanilino)propan-1-ol
PubChem CID43500287
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name2-(4-ethylsulfonylanilino)propan-1-ol
SMILESCCS(=O)(=O)c1ccc(NC(C)CO)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(14,15)11-6-4-10(5-7-11)12-9(2)8-13/h4-7,9,12-13H,3,8H2,1-2H3
InChIKeyQUVIKBKBDLIVMT-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558
4-ethylsulfonyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630538
4-ethylsulfonyl-N-(1-methoxypropan-2-yl)aniline
CID 43453355
methyl 3-(4-ethylsulfonylanilino)butanoate
CID 114283860
4-ethylsulfonyl-N-(1-methylsulfinylpropan-2-yl)aniline
CID 113486521
(2R)-2-(4-ethylsulfonylanilino)-3-methylbutanoic acid
CID 94161069
N-(3-ethylpentan-2-yl)-4-ethylsulfonylaniline
CID 63838875
4-[1-(4-ethylsulfonylanilino)ethyl]phenol
CID 43689686
4-ethylsulfonyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43689688
3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
CID 106157556
(2S)-2-(4-chloroanilino)propan-1-ol
CID 66929513
4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylanilino)propan-1-ol?
The IUPAC name of 2-(4-ethylsulfonylanilino)propan-1-ol (CID 43500287) is 2-(4-ethylsulfonylanilino)propan-1-ol.
What is the SMILES notation for 2-(4-ethylsulfonylanilino)propan-1-ol?
The canonical SMILES for 2-(4-ethylsulfonylanilino)propan-1-ol is CCS(=O)(=O)c1ccc(NC(C)CO)cc1.
What is the InChIKey of 2-(4-ethylsulfonylanilino)propan-1-ol?
The InChIKey is QUVIKBKBDLIVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(14,15)11-6-4-10(5-7-11)12-9(2)8-13/h4-7,9,12-13H,3,8H2,1-2H3.
What are the key properties of 2-(4-ethylsulfonylanilino)propan-1-ol?
2-(4-ethylsulfonylanilino)propan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylanilino)propan-1-ol is sourced from PubChem (CID 43500287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).