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

C17H18ClN3O5S — CID 53024849

IUPAC5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C17H18ClN3O5S/c1-11-14(18)3-2-4-15(11)27(24,25)20-12-9-13(17(22)23)16(19-10-12)21-5-7-26-8-6-21/h2-4,9-10,20H,5-8H2,1H3,(H,22,23)
InChIKeyAQHCVSKCFPJDKR-UHFFFAOYSA-N
MW411.87 g/mol
LogP2.38
Rot. Bonds5

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

5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid (PubChem CID 53024849) has the molecular formula C17H18ClN3O5S and a molecular weight of 411.87 g/mol. Its IUPAC name is 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
PubChem CID53024849
Molecular FormulaC17H18ClN3O5S
Molecular Weight411.87 g/mol
Exact Mass411.07
IUPAC Name5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
SMILESCc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCOCC2)c(C(=O)O)c1
InChIInChI=1S/C17H18ClN3O5S/c1-11-14(18)3-2-4-15(11)27(24,25)20-12-9-13(17(22)23)16(19-10-12)21-5-7-26-8-6-21/h2-4,9-10,20H,5-8H2,1H3,(H,22,23)
InChIKeyAQHCVSKCFPJDKR-UHFFFAOYSA-N
XLogP2.38
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azocan-1-yl)-5-[(2-chlorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054712
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-[4-(2-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054831
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054749
5-[(4-ethylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53056710
2-pyrrolidin-1-yl-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53004779
3-chloro-2-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]benzenesulfonamide
CID 90597875
5-[(5-chlorothiophen-2-yl)sulfonylamino]-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53024698
2-(azepan-1-yl)-5-[(5-chlorothiophen-2-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024673
2-(azocan-1-yl)-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024812
3-chloro-N-(5-chloro-2-morpholin-4-ylphenyl)-2-methylbenzenesulfonamide
CID 55880070
3-chloro-2-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122300152
2-(azocan-1-yl)-5-[(4-propan-2-ylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024798

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
The IUPAC name of 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid (CID 53024849) is 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid is Cc1c(Cl)cccc1S(=O)(=O)Nc1cnc(N2CCOCC2)c(C(=O)O)c1.
What is the InChIKey of 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
The InChIKey is AQHCVSKCFPJDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O5S/c1-11-14(18)3-2-4-15(11)27(24,25)20-12-9-13(17(22)23)16(19-10-12)21-5-7-26-8-6-21/h2-4,9-10,20H,5-8H2,1H3,(H,22,23).
What are the key properties of 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid?
5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid has a molecular weight of 411.87 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-methylphenyl)sulfonylamino]-2-morpholin-4-ylpyridine-3-carboxylic acid is sourced from PubChem (CID 53024849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).