2-(4-ethylsulfonyl-N-propylanilino)ethanol

C13H21NO3S — CID 61425669

IUPAC2-(4-ethylsulfonyl-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H21NO3S/c1-3-9-14(10-11-15)12-5-7-13(8-6-12)18(16,17)4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyADJYVCYACQAZKO-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.69
Rot. Bonds7

About 2-(4-ethylsulfonyl-N-propylanilino)ethanol

2-(4-ethylsulfonyl-N-propylanilino)ethanol (PubChem CID 61425669) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(4-ethylsulfonyl-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(4-ethylsulfonyl-N-propylanilino)ethanol
PubChem CID61425669
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(4-ethylsulfonyl-N-propylanilino)ethanol
SMILESCCCN(CCO)c1ccc(S(=O)(=O)CC)cc1
InChIInChI=1S/C13H21NO3S/c1-3-9-14(10-11-15)12-5-7-13(8-6-12)18(16,17)4-2/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyADJYVCYACQAZKO-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-4-ethylsulfonyl-N-propylaniline
CID 63392046
4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 61448189
4-[butyl(2-hydroxyethyl)amino]-N-methylbenzenesulfonamide
CID 61448236
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
1-N,1-N,4-N,4-N-tetrapropylbenzene-1,4-diamine
CID 70004923
2-(N-butyl-4-ethylsulfonylanilino)acetic acid
CID 18972370
3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
5-(4-ethylsulfonyl-N-methylanilino)pentan-1-ol
CID 107203360
N-(2-chloroethyl)-4-methylsulfonyl-N-propylaniline
CID 55184252
2-[4-[(4-ethylsulfonylphenyl)diazenyl]-N-(2-hydroxyethyl)-3-phenylanilino]ethanol
CID 101418969
4-(dipropylamino)benzenesulfinic acid
CID 155424665
N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 63287115

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonyl-N-propylanilino)ethanol?
The IUPAC name of 2-(4-ethylsulfonyl-N-propylanilino)ethanol (CID 61425669) is 2-(4-ethylsulfonyl-N-propylanilino)ethanol.
What is the SMILES notation for 2-(4-ethylsulfonyl-N-propylanilino)ethanol?
The canonical SMILES for 2-(4-ethylsulfonyl-N-propylanilino)ethanol is CCCN(CCO)c1ccc(S(=O)(=O)CC)cc1.
What is the InChIKey of 2-(4-ethylsulfonyl-N-propylanilino)ethanol?
The InChIKey is ADJYVCYACQAZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-3-9-14(10-11-15)12-5-7-13(8-6-12)18(16,17)4-2/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-(4-ethylsulfonyl-N-propylanilino)ethanol?
2-(4-ethylsulfonyl-N-propylanilino)ethanol has a molecular weight of 271.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonyl-N-propylanilino)ethanol is sourced from PubChem (CID 61425669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).