5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid

C10H9NO4S2 — CID 44754709

IUPAC5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc2sc(C(=O)O)cc2c1
InChIInChI=1S/C10H9NO4S2/c1-17(14,15)11-7-2-3-8-6(4-7)5-9(16-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeySOSJQRVNCNTMLR-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.97
Rot. Bonds3

About 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid

5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid (PubChem CID 44754709) has the molecular formula C10H9NO4S2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid
PubChem CID44754709
Molecular FormulaC10H9NO4S2
Molecular Weight271.32 g/mol
Exact Mass271.00
IUPAC Name5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid
SMILESCS(=O)(=O)Nc1ccc2sc(C(=O)O)cc2c1
InChIInChI=1S/C10H9NO4S2/c1-17(14,15)11-7-2-3-8-6(4-7)5-9(16-8)10(12)13/h2-5,11H,1H3,(H,12,13)
InChIKeySOSJQRVNCNTMLR-UHFFFAOYSA-N
XLogP1.97
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid (CID 44754709) is 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid is CS(=O)(=O)Nc1ccc2sc(C(=O)O)cc2c1.
What is the InChIKey of 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid?
The InChIKey is SOSJQRVNCNTMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4S2/c1-17(14,15)11-7-2-3-8-6(4-7)5-9(16-8)10(12)13/h2-5,11H,1H3,(H,12,13).
What are the key properties of 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid?
5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methanesulfonamido)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 44754709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).