2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide

C19H17N3O5S — CID 19970593

IUPAC2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
SMILESO=C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(=O)NCCO)nc1
InChIInChI=1S/C19H17N3O5S/c23-10-9-20-19(25)17-8-6-15(12-21-17)18(24)22-28(26,27)16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,23H,9-10H2,(H,20,25)(H,22,24)
InChIKeyAQUGDEYNBCLUOP-UHFFFAOYSA-N
MW399.43 g/mol
LogP1.08
Rot. Bonds6

About 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide

2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide (PubChem CID 19970593) has the molecular formula C19H17N3O5S and a molecular weight of 399.43 g/mol. Its IUPAC name is 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
PubChem CID19970593
Molecular FormulaC19H17N3O5S
Molecular Weight399.43 g/mol
Exact Mass399.09
IUPAC Name2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide
SMILESO=C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(=O)NCCO)nc1
InChIInChI=1S/C19H17N3O5S/c23-10-9-20-19(25)17-8-6-15(12-21-17)18(24)22-28(26,27)16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,23H,9-10H2,(H,20,25)(H,22,24)
InChIKeyAQUGDEYNBCLUOP-UHFFFAOYSA-N
XLogP1.08
TPSA125.46 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
2-N-(2-hydroxyethyl)-5-N-[3-(2-methoxyethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970382
5-N-[3-(hexylcarbamoyl)phenyl]sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970700
2-N-(2-hydroxyethyl)-5-N-[3-[2-(2-methylpropanoylamino)ethyl]phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970743
ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
CID 67749124
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 54564954
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970641
2-[[5-[[4-(2-benzamidoethyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]ethyl acetate
CID 19970564
ethyl 2-[[5-[[4-(2-phenylethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetate
CID 19970664

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide (CID 19970593) is 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide is O=C(NS(=O)(=O)c1ccc2ccccc2c1)c1ccc(C(=O)NCCO)nc1.
What is the InChIKey of 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide?
The InChIKey is AQUGDEYNBCLUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O5S/c23-10-9-20-19(25)17-8-6-15(12-21-17)18(24)22-28(26,27)16-7-5-13-3-1-2-4-14(13)11-16/h1-8,11-12,23H,9-10H2,(H,20,25)(H,22,24).
What are the key properties of 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide?
2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide has a molecular weight of 399.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-hydroxyethyl)-5-N-naphthalen-2-ylsulfonylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 19970593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).