3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid

C21H16N2O4S2 — CID 10273919

IUPAC3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2cccc3cccnc23)sc1C(=O)O
InChIInChI=1S/C21H16N2O4S2/c1-13-6-2-3-10-18(13)29(26,27)23-16-12-17(28-20(16)21(24)25)15-9-4-7-14-8-5-11-22-19(14)15/h2-12,23H,1H3,(H,24,25)
InChIKeyKUTYVKIVEHCFFR-UHFFFAOYSA-N
MW424.50 g/mol
LogP4.77
Rot. Bonds5

About 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid

3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid (PubChem CID 10273919) has the molecular formula C21H16N2O4S2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid
PubChem CID10273919
Molecular FormulaC21H16N2O4S2
Molecular Weight424.50 g/mol
Exact Mass424.06
IUPAC Name3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid
SMILESCc1ccccc1S(=O)(=O)Nc1cc(-c2cccc3cccnc23)sc1C(=O)O
InChIInChI=1S/C21H16N2O4S2/c1-13-6-2-3-10-18(13)29(26,27)23-16-12-17(28-20(16)21(24)25)15-9-4-7-14-8-5-11-22-19(14)15/h2-12,23H,1H3,(H,24,25)
InChIKeyKUTYVKIVEHCFFR-UHFFFAOYSA-N
XLogP4.77
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 54.77
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-quinolin-8-ylthiophene-2-carboxylic acid?
The IUPAC name of 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid (CID 10273919) is 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid?
The canonical SMILES for 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid is Cc1ccccc1S(=O)(=O)Nc1cc(-c2cccc3cccnc23)sc1C(=O)O.
What is the InChIKey of 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid?
The InChIKey is KUTYVKIVEHCFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O4S2/c1-13-6-2-3-10-18(13)29(26,27)23-16-12-17(28-20(16)21(24)25)15-9-4-7-14-8-5-11-22-19(14)15/h2-12,23H,1H3,(H,24,25).
What are the key properties of 3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid?
3-[(2-methylphenyl)sulfonylamino]-5-quinolin-8-ylthiophene-2-carboxylic acid has a molecular weight of 424.50 g/mol, XLogP of 4.77, 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-quinolin-8-ylthiophene-2-carboxylic acid is sourced from PubChem (CID 10273919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).