5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid

C18H21N3O4S — CID 53056820

IUPAC5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCC2)c(C)c1
InChIInChI=1S/C18H21N3O4S/c1-12-5-6-16(13(2)9-12)26(24,25)20-15-10-14(18(22)23)11-19-17(15)21-7-3-4-8-21/h5-6,9-11,20H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyIZTQFKNMYRYOFQ-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.80
Rot. Bonds5

About 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid

5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid (PubChem CID 53056820) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
PubChem CID53056820
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
SMILESCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCC2)c(C)c1
InChIInChI=1S/C18H21N3O4S/c1-12-5-6-16(13(2)9-12)26(24,25)20-15-10-14(18(22)23)11-19-17(15)21-7-3-4-8-21/h5-6,9-11,20H,3-4,7-8H2,1-2H3,(H,22,23)
InChIKeyIZTQFKNMYRYOFQ-UHFFFAOYSA-N
XLogP2.80
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2,4-dimethylphenyl)sulfonylamino]-6-(3-ethoxycarbonylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056762
6-(azepan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056795
5-[(2-methylphenyl)sulfonylamino]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53056778
2-(azocan-1-yl)-5-[(2,4-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054705
5-[(2-methylphenyl)sulfonylamino]-6-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024994
6-(4-benzylpiperidin-1-yl)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056744
5-(azepan-1-yl)-2-[(2,4-dimethylphenyl)sulfonylamino]benzoic acid
CID 46325313
2,4-dimethyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzenesulfonamide
CID 91968208
3-[(2,4-dimethylphenyl)sulfonylamino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46291737
3-[(2,4-dimethylphenyl)sulfonylamino]-4-(4-piperidin-1-ylpiperidin-1-yl)benzoic acid
CID 50767031
5-methyl-6-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 66935695
5-[(2,4-dimethylphenyl)sulfonylamino]-2-[(3S)-3-ethoxycarbonylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 93055555

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid (CID 53056820) is 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid is Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)cnc2N2CCCC2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
The InChIKey is IZTQFKNMYRYOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-12-5-6-16(13(2)9-12)26(24,25)20-15-10-14(18(22)23)11-19-17(15)21-7-3-4-8-21/h5-6,9-11,20H,3-4,7-8H2,1-2H3,(H,22,23).
What are the key properties of 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid?
5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid has a molecular weight of 375.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)sulfonylamino]-6-pyrrolidin-1-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 53056820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).