3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

C16H14N2O4S2 — CID 51117362

IUPAC3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)sc1C(=O)O
InChIInChI=1S/C16H14N2O4S2/c1-11-9-14(23-15(11)16(19)20)24(21,22)17-12-5-4-6-13(10-12)18-7-2-3-8-18/h2-10,17H,1H3,(H,19,20)
InChIKeyUUHOGFPMJRMPPE-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.35
Rot. Bonds5

About 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid

3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 51117362) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
PubChem CID51117362
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid
SMILESCc1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)sc1C(=O)O
InChIInChI=1S/C16H14N2O4S2/c1-11-9-14(23-15(11)16(19)20)24(21,22)17-12-5-4-6-13(10-12)18-7-2-3-8-18/h2-10,17H,1H3,(H,19,20)
InChIKeyUUHOGFPMJRMPPE-UHFFFAOYSA-N
XLogP3.35
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid (CID 51117362) is 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is Cc1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is UUHOGFPMJRMPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-11-9-14(23-15(11)16(19)20)24(21,22)17-12-5-4-6-13(10-12)18-7-2-3-8-18/h2-10,17H,1H3,(H,19,20).
What are the key properties of 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid?
3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 362.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(3-pyrrol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 51117362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).