5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide

C9H9NO4S2 — CID 21283481

IUPAC5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide
SMILESCOc1cc2sc(S(N)(=O)=O)cc2cc1O
InChIInChI=1S/C9H9NO4S2/c1-14-7-4-8-5(2-6(7)11)3-9(15-8)16(10,12)13/h2-4,11H,1H3,(H2,10,12,13)
InChIKeyNOEDAINOWFMFAS-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.26
Rot. Bonds2

About 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide

5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide (PubChem CID 21283481) has the molecular formula C9H9NO4S2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide
PubChem CID21283481
Molecular FormulaC9H9NO4S2
Molecular Weight259.31 g/mol
Exact Mass259.00
IUPAC Name5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide
SMILESCOc1cc2sc(S(N)(=O)=O)cc2cc1O
InChIInChI=1S/C9H9NO4S2/c1-14-7-4-8-5(2-6(7)11)3-9(15-8)16(10,12)13/h2-4,11H,1H3,(H2,10,12,13)
InChIKeyNOEDAINOWFMFAS-UHFFFAOYSA-N
XLogP1.26
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-hydroxy-6-methoxy-1-benzothiophene-2-carboxylate
CID 131431329
methyl 5-sulfamoylthieno[2,3-b]thiophene-2-carboxylate
CID 14700202
5-bromo-2-methoxy-1-benzothiophen-6-ol
CID 130970005
5-methoxybenzene-1,2,4-triol
CID 20551665
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670
5-methylthiophene-2,4-disulfonamide
CID 600438
4-bromo-5-fluoro-2-methoxyphenol;formaldehyde
CID 174569223
CID 90399016
CID 90399016
4-(5-bromo-6-methoxy-1-benzothiophen-2-yl)-4-oxobutanoic acid
CID 134391962
4-amino-N-[(2-bromo-4-hydroxy-5-methoxyphenyl)methyl]benzenesulfonamide
CID 68817319
methyl 1-benzothiophene-2-sulfonate
CID 89056297
6-chloro-5-methoxy-1-benzothiophen-2-ol
CID 131034383

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide?
The IUPAC name of 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide (CID 21283481) is 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide is COc1cc2sc(S(N)(=O)=O)cc2cc1O.
What is the InChIKey of 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide?
The InChIKey is NOEDAINOWFMFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO4S2/c1-14-7-4-8-5(2-6(7)11)3-9(15-8)16(10,12)13/h2-4,11H,1H3,(H2,10,12,13).
What are the key properties of 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide?
5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide has a molecular weight of 259.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-methoxy-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 21283481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).