5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid

C18H21N3O5S — CID 53056710

IUPAC5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C18H21N3O5S/c1-2-13-3-5-15(6-4-13)27(24,25)20-14-11-16(18(22)23)17(19-12-14)21-7-9-26-10-8-21/h3-6,11-12,20H,2,7-10H2,1H3,(H,22,23)
InChIKeyPQTNWXXJQWHHCN-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.98
Rot. Bonds6

About 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid

5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid (PubChem CID 53056710) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
PubChem CID53056710
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCCc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)O)c2)cc1
InChIInChI=1S/C18H21N3O5S/c1-2-13-3-5-15(6-4-13)27(24,25)20-14-11-16(18(22)23)17(19-12-14)21-7-9-26-10-8-21/h3-6,11-12,20H,2,7-10H2,1H3,(H,22,23)
InChIKeyPQTNWXXJQWHHCN-UHFFFAOYSA-N
XLogP1.98
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylpiperidin-1-yl)-5-[(4-ethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 46292022
5-[(4-cyclohexylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054754
5-[(4-acetylphenyl)sulfonylamino]-2-(azocan-1-yl)pyridine-3-carboxylic acid
CID 53056707
2-(azocan-1-yl)-5-[(4-bromophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024789
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53024849
2-pyrrolidin-1-yl-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53004776
2-(azocan-1-yl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054691
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
5-[(4-acetylphenyl)sulfonylamino]-2-(azepan-1-yl)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154578406
2-(azepan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054535
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054749

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid (CID 53056710) is 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid is CCc1ccc(S(=O)(=O)Nc2cnc(N3CCOCC3)c(C(=O)O)c2)cc1.
What is the InChIKey of 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
The InChIKey is PQTNWXXJQWHHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-2-13-3-5-15(6-4-13)27(24,25)20-14-11-16(18(22)23)17(19-12-14)21-7-9-26-10-8-21/h3-6,11-12,20H,2,7-10H2,1H3,(H,22,23).
What are the key properties of 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid has a molecular weight of 391.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 53056710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).