N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide

C11H17NO5S2 — CID 8830850

IUPACN-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(S(=O)(=O)CC)ccc1O
InChIInChI=1S/C11H17NO5S2/c1-3-7-19(16,17)12-10-8-9(5-6-11(10)13)18(14,15)4-2/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyGOBYFKIELVFPDW-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.34
Rot. Bonds6

About N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide

N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide (PubChem CID 8830850) has the molecular formula C11H17NO5S2 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide
PubChem CID8830850
Molecular FormulaC11H17NO5S2
Molecular Weight307.39 g/mol
Exact Mass307.05
IUPAC NameN-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(S(=O)(=O)CC)ccc1O
InChIInChI=1S/C11H17NO5S2/c1-3-7-19(16,17)12-10-8-9(5-6-11(10)13)18(14,15)4-2/h5-6,8,12-13H,3-4,7H2,1-2H3
InChIKeyGOBYFKIELVFPDW-UHFFFAOYSA-N
XLogP1.34
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide?
The IUPAC name of N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide (CID 8830850) is N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(S(=O)(=O)CC)ccc1O.
What is the InChIKey of N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide?
The InChIKey is GOBYFKIELVFPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5S2/c1-3-7-19(16,17)12-10-8-9(5-6-11(10)13)18(14,15)4-2/h5-6,8,12-13H,3-4,7H2,1-2H3.
What are the key properties of N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide?
N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide has a molecular weight of 307.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-hydroxyphenyl)propane-1-sulfonamide is sourced from PubChem (CID 8830850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).