4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid

C16H13NO5S2 — CID 167476594

IUPAC4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C16H13NO5S2/c1-22-13-8-10(16(18)19)6-7-12(13)17-24(20,21)15-9-23-14-5-3-2-4-11(14)15/h2-9,17H,1H3,(H,18,19)
InChIKeyUMGUGAKPLMNDFZ-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.41
Rot. Bonds5

About 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid

4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid (PubChem CID 167476594) has the molecular formula C16H13NO5S2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid.

Molecular Properties

Compound Name4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid
PubChem CID167476594
Molecular FormulaC16H13NO5S2
Molecular Weight363.42 g/mol
Exact Mass363.02
IUPAC Name4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)ccc1NS(=O)(=O)c1csc2ccccc12
InChIInChI=1S/C16H13NO5S2/c1-22-13-8-10(16(18)19)6-7-12(13)17-24(20,21)15-9-23-14-5-3-2-4-11(14)15/h2-9,17H,1H3,(H,18,19)
InChIKeyUMGUGAKPLMNDFZ-UHFFFAOYSA-N
XLogP3.41
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid?
The IUPAC name of 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid (CID 167476594) is 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid.
What is the SMILES notation for 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid?
The canonical SMILES for 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid is COc1cc(C(=O)O)ccc1NS(=O)(=O)c1csc2ccccc12.
What is the InChIKey of 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid?
The InChIKey is UMGUGAKPLMNDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO5S2/c1-22-13-8-10(16(18)19)6-7-12(13)17-24(20,21)15-9-23-14-5-3-2-4-11(14)15/h2-9,17H,1H3,(H,18,19).
What are the key properties of 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid?
4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid has a molecular weight of 363.42 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-3-ylsulfonylamino)-3-methoxybenzoic acid is sourced from PubChem (CID 167476594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).