5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide

C14H13N3O4S — CID 54564954

IUPAC5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C14H13N3O4S/c1-15-14(19)12-8-7-10(9-16-12)13(18)17-22(20,21)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,19)(H,17,18)
InChIKeyZTDOEUDSDDQUGV-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.56
Rot. Bonds4

About 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide

5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide (PubChem CID 54564954) has the molecular formula C14H13N3O4S and a molecular weight of 319.34 g/mol. Its IUPAC name is 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
PubChem CID54564954
Molecular FormulaC14H13N3O4S
Molecular Weight319.34 g/mol
Exact Mass319.06
IUPAC Name5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide
SMILESCNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C14H13N3O4S/c1-15-14(19)12-8-7-10(9-16-12)13(18)17-22(20,21)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,19)(H,17,18)
InChIKeyZTDOEUDSDDQUGV-UHFFFAOYSA-N
XLogP0.56
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(benzenesulfonyl)-1-N-methylbenzene-1,4-dicarboxamide
CID 90126567
2-N-methyl-5-N-(1-phenylethylsulfonyl)pyridine-2,5-dicarboxamide
CID 166210961
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
5-[[4-(ethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928163
N-(benzenesulfonyl)-4-chlorobenzamide
CID 2355220
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
2-N-(methoxymethyl)-5-N-[4-(2-phenylethylcarbamoyl)phenyl]sulfonylpyridine-2,5-dicarboxamide
CID 19970509
5-[[3-(benzylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 57079415
5-[[4-(3-phenylpropylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928149
5-N-(4-acetamidophenyl)sulfonyl-2-N-(2-hydroxyethyl)pyridine-2,5-dicarboxamide
CID 19970615
5-[(2-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19970342
2-[[5-[[4-[2-[(2-phenylacetyl)amino]ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carbonyl]amino]acetic acid
CID 19970641

Frequently Asked Questions

What is the IUPAC name of 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide?
The IUPAC name of 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide (CID 54564954) is 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide?
The canonical SMILES for 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide is CNC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide?
The InChIKey is ZTDOEUDSDDQUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4S/c1-15-14(19)12-8-7-10(9-16-12)13(18)17-22(20,21)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,19)(H,17,18).
What are the key properties of 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide?
5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide has a molecular weight of 319.34 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(benzenesulfonyl)-2-N-methylpyridine-2,5-dicarboxamide is sourced from PubChem (CID 54564954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).