5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid

C16H13NO4S2 — CID 56798872

IUPAC5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(c1cccc2ccccc12)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C16H13NO4S2/c1-17(14-8-4-6-11-5-2-3-7-13(11)14)23(20,21)15-9-12(10-22-15)16(18)19/h2-10H,1H3,(H,18,19)
InChIKeyAWCMFPJRHBNHNQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.42
Rot. Bonds4

About 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid

5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 56798872) has the molecular formula C16H13NO4S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID56798872
Molecular FormulaC16H13NO4S2
Molecular Weight347.42 g/mol
Exact Mass347.03
IUPAC Name5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid
SMILESCN(c1cccc2ccccc12)S(=O)(=O)c1cc(C(=O)O)cs1
InChIInChI=1S/C16H13NO4S2/c1-17(14-8-4-6-11-5-2-3-7-13(11)14)23(20,21)15-9-12(10-22-15)16(18)19/h2-10H,1H3,(H,18,19)
InChIKeyAWCMFPJRHBNHNQ-UHFFFAOYSA-N
XLogP3.42
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid (CID 56798872) is 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid is CN(c1cccc2ccccc12)S(=O)(=O)c1cc(C(=O)O)cs1.
What is the InChIKey of 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is AWCMFPJRHBNHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S2/c1-17(14-8-4-6-11-5-2-3-7-13(11)14)23(20,21)15-9-12(10-22-15)16(18)19/h2-10H,1H3,(H,18,19).
What are the key properties of 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid?
5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 347.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(naphthalen-1-yl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 56798872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).