3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid

C17H14N2O4S2 — CID 10292795

IUPAC3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2ccncc2)sc1C(=O)O
InChIInChI=1S/C17H14N2O4S2/c1-11-4-2-3-5-15(11)25(22,23)19-13-10-14(24-16(13)17(20)21)12-6-8-18-9-7-12/h2-10,19H,1H3,(H,20,21)
InChIKeyLPMCPDOXHWVFPI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.62
Rot. Bonds5

About 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid

3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid (PubChem CID 10292795) has the molecular formula C17H14N2O4S2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid
PubChem CID10292795
Molecular FormulaC17H14N2O4S2
Molecular Weight374.44 g/mol
Exact Mass374.04
IUPAC Name3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2ccncc2)sc1C(=O)O
InChIInChI=1S/C17H14N2O4S2/c1-11-4-2-3-5-15(11)25(22,23)19-13-10-14(24-16(13)17(20)21)12-6-8-18-9-7-12/h2-10,19H,1H3,(H,20,21)
InChIKeyLPMCPDOXHWVFPI-UHFFFAOYSA-N
XLogP3.62
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid (CID 10292795) is 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid is Cc1ccccc1S(=O)(=O)Nc1cc(-c2ccncc2)sc1C(=O)O.
What is the InChIKey of 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid?
The InChIKey is LPMCPDOXHWVFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4S2/c1-11-4-2-3-5-15(11)25(22,23)19-13-10-14(24-16(13)17(20)21)12-6-8-18-9-7-12/h2-10,19H,1H3,(H,20,21).
What are the key properties of 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid?
3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid has a molecular weight of 374.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)sulfonylamino]-5-pyridin-4-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 10292795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).