3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid

C17H16N2O4S — CID 2035044

IUPAC3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C17H16N2O4S/c1-10-7-8-14(11(2)9-10)24(22,23)19-15-12-5-3-4-6-13(12)18-16(15)17(20)21/h3-9,18-19H,1-2H3,(H,20,21)
InChIKeyKUNQCYZLOXEYIF-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.28
Rot. Bonds4

About 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid

3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid (PubChem CID 2035044) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
PubChem CID2035044
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C17H16N2O4S/c1-10-7-8-14(11(2)9-10)24(22,23)19-15-12-5-3-4-6-13(12)18-16(15)17(20)21/h3-9,18-19H,1-2H3,(H,20,21)
InChIKeyKUNQCYZLOXEYIF-UHFFFAOYSA-N
XLogP3.28
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
The IUPAC name of 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid (CID 2035044) is 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)c(C)c1.
What is the InChIKey of 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
The InChIKey is KUNQCYZLOXEYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-10-7-8-14(11(2)9-10)24(22,23)19-15-12-5-3-4-6-13(12)18-16(15)17(20)21/h3-9,18-19H,1-2H3,(H,20,21).
What are the key properties of 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid?
3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid has a molecular weight of 344.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dimethylphenyl)sulfonylamino]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 2035044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).