4-Methoxy-1-benzothiophene-2-sulfonamide

C9H9NO3S2 — CID 13922810

IUPAC4-methoxy-1-benzothiophene-2-sulfonamide
SMILESCOC1=C2C=C(SC2=CC=C1)S(=O)(=O)N
InChIInChI=1S/C9H9NO3S2/c1-13-7-3-2-4-8-6(7)5-9(14-8)15(10,11)12/h2-5H,1H3,(H2,10,11,12)
InChIKeyACJCKSYUUNLSAT-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.80
Rot. Bonds2

About 4-Methoxy-1-benzothiophene-2-sulfonamide

4-Methoxy-1-benzothiophene-2-sulfonamide (PubChem CID 13922810) has the molecular formula C9H9NO3S2 and a molecular weight of 243.30 g/mol. Its IUPAC name is 4-methoxy-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name4-Methoxy-1-benzothiophene-2-sulfonamide
PubChem CID13922810
Molecular FormulaC9H9NO3S2
Molecular Weight243.30 g/mol
Exact Mass243.00
IUPAC Name4-methoxy-1-benzothiophene-2-sulfonamide
SMILESCOC1=C2C=C(SC2=CC=C1)S(=O)(=O)N
InChIInChI=1S/C9H9NO3S2/c1-13-7-3-2-4-8-6(7)5-9(14-8)15(10,11)12/h2-5H,1H3,(H2,10,11,12)
InChIKeyACJCKSYUUNLSAT-UHFFFAOYSA-N
XLogP1.80
TPSA106.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity325

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-Methoxy-1-benzothiophene-2-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Hydroxybenzo(b)thiophene-2-sulfonamide acetate ester
CID 126061
6-Methoxy-1-benzothiophene-2-sulfonamide
CID 13922809
(2-Sulfamoyl-1-benzothiophen-6-yl) 2,2-dimethylpropanoate
CID 13922811
5-Methoxy-2-sulfamoylbenzo[b]thiophene
CID 13922841
4-Hydroxy-1-benzothiophene-2-sulfonamide
CID 13922899
7-Methoxy-1-benzothiophene-2-sulfonamide
CID 13922900
2,3-Dihydro-6-methoxy-2-sulfamoylbenzo[b]thiophene-1,1-dioxide
CID 14950175
5-(4-Methoxybenzylthio)thiophene-2-sulfonamide
CID 15599374
2-Methylpropyl (2-sulfamoyl-1-benzothiophen-6-yl) carbonate
CID 14390578
Sodium (2-sulfamoyl-1-benzothiophen-6-yl) sulfate
CID 23699988
4-Methoxy-benzo(b)thiophene
CID 12623869
4-[6-Methoxy-2-(4-methylsulfonylphenyl)-1-benzothiophen-3-yl]benzenesulfonamide
CID 44202218

Frequently Asked Questions

What is the IUPAC name of 4-Methoxy-1-benzothiophene-2-sulfonamide?
The IUPAC name of 4-Methoxy-1-benzothiophene-2-sulfonamide (CID 13922810) is 4-methoxy-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 4-Methoxy-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 4-Methoxy-1-benzothiophene-2-sulfonamide is COC1=C2C=C(SC2=CC=C1)S(=O)(=O)N.
What is the InChIKey of 4-Methoxy-1-benzothiophene-2-sulfonamide?
The InChIKey is ACJCKSYUUNLSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3S2/c1-13-7-3-2-4-8-6(7)5-9(14-8)15(10,11)12/h2-5H,1H3,(H2,10,11,12).
What are the key properties of 4-Methoxy-1-benzothiophene-2-sulfonamide?
4-Methoxy-1-benzothiophene-2-sulfonamide has a molecular weight of 243.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methoxy-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 13922810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).