4-ethylsulfonyl-2-propoxyaniline

C11H17NO3S — CID 63670906

IUPAC4-ethylsulfonyl-2-propoxyaniline
SMILESCCCOc1cc(S(=O)(=O)CC)ccc1N
InChIInChI=1S/C11H17NO3S/c1-3-7-15-11-8-9(5-6-10(11)12)16(13,14)4-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyNRVHIUTVWBZUMT-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.85
Rot. Bonds5

About 4-ethylsulfonyl-2-propoxyaniline

4-ethylsulfonyl-2-propoxyaniline (PubChem CID 63670906) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethylsulfonyl-2-propoxyaniline.

Molecular Properties

Compound Name4-ethylsulfonyl-2-propoxyaniline
PubChem CID63670906
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-ethylsulfonyl-2-propoxyaniline
SMILESCCCOc1cc(S(=O)(=O)CC)ccc1N
InChIInChI=1S/C11H17NO3S/c1-3-7-15-11-8-9(5-6-10(11)12)16(13,14)4-2/h5-6,8H,3-4,7,12H2,1-2H3
InChIKeyNRVHIUTVWBZUMT-UHFFFAOYSA-N
XLogP1.85
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-(2-propoxyethoxy)benzenesulfonamide
CID 82898491
2-bromo-4-ethylsulfonyl-1-propoxybenzene
CID 118022008
4-amino-3-hexoxybenzenesulfonamide
CID 82898886
4-amino-N-ethyl-3-(2-propoxyethoxy)benzenesulfonamide
CID 82900824
2-methoxy-4-propylsulfonylaniline
CID 15153318
4-methyl-2-propoxyaniline
CID 24698653
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
4-amino-3-hexoxy-N,N-dimethylbenzenesulfonamide
CID 82901534
4-amino-3-heptoxy-N,N-dimethylbenzenesulfonamide
CID 82902494
4-amino-3-propoxybenzamide
CID 63356295
4-N-methyl-2-propoxy-4-N-propylbenzene-1,4-diamine
CID 63671140
4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112587096

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfonyl-2-propoxyaniline?
The IUPAC name of 4-ethylsulfonyl-2-propoxyaniline (CID 63670906) is 4-ethylsulfonyl-2-propoxyaniline.
What is the SMILES notation for 4-ethylsulfonyl-2-propoxyaniline?
The canonical SMILES for 4-ethylsulfonyl-2-propoxyaniline is CCCOc1cc(S(=O)(=O)CC)ccc1N.
What is the InChIKey of 4-ethylsulfonyl-2-propoxyaniline?
The InChIKey is NRVHIUTVWBZUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-7-15-11-8-9(5-6-10(11)12)16(13,14)4-2/h5-6,8H,3-4,7,12H2,1-2H3.
What are the key properties of 4-ethylsulfonyl-2-propoxyaniline?
4-ethylsulfonyl-2-propoxyaniline has a molecular weight of 243.33 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfonyl-2-propoxyaniline is sourced from PubChem (CID 63670906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).