4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide

C13H21NO5S2 — CID 61057154

IUPAC4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
SMILESCCS(=O)(=O)CCOc1ccc(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C13H21NO5S2/c1-4-20(15,16)8-7-19-13-6-5-11(21(14,17)18)9-12(13)10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,17,18)
InChIKeyDNHHIEDWTGEWBA-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.27
Rot. Bonds7

About 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide

4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide (PubChem CID 61057154) has the molecular formula C13H21NO5S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
PubChem CID61057154
Molecular FormulaC13H21NO5S2
Molecular Weight335.45 g/mol
Exact Mass335.09
IUPAC Name4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
SMILESCCS(=O)(=O)CCOc1ccc(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C13H21NO5S2/c1-4-20(15,16)8-7-19-13-6-5-11(21(14,17)18)9-12(13)10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,17,18)
InChIKeyDNHHIEDWTGEWBA-UHFFFAOYSA-N
XLogP1.27
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 61057681
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
CID 80695433
4-but-3-ynoxy-3-propan-2-ylbenzenesulfonamide
CID 82914375
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
CID 82914595
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82913829
2-(2-propan-2-yl-4-sulfamoylphenoxy)propanamide
CID 82914671
3-propan-2-yl-4-(2-propan-2-yloxyethoxy)benzenesulfonyl chloride
CID 61484808
4-[[1-(cyanomethyl)cyclopropyl]methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82912697
1-propan-2-yl-2-(2-propylsulfonylethoxy)benzene
CID 106732629
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
3-butan-2-yl-4-[(E)-3-chloro-2-methylprop-2-enoxy]benzenesulfonamide
CID 106439077
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide (CID 61057154) is 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide is CCS(=O)(=O)CCOc1ccc(S(N)(=O)=O)cc1C(C)C.
What is the InChIKey of 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide?
The InChIKey is DNHHIEDWTGEWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5S2/c1-4-20(15,16)8-7-19-13-6-5-11(21(14,17)18)9-12(13)10(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,14,17,18).
What are the key properties of 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide?
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide has a molecular weight of 335.45 g/mol, XLogP of 1.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61057154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).