5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

C20H19N3O5S — CID 20910382

IUPAC5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C20H19N3O5S/c1-27-18-9-8-15(11-19(18)28-2)22-20(24)14-10-16(13-21-12-14)23-29(25,26)17-6-4-3-5-7-17/h3-13,23H,1-2H3,(H,22,24)
InChIKeyDQOURMWZSLLPGD-UHFFFAOYSA-N
MW413.46 g/mol
LogP3.15
Rot. Bonds7

About 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide

5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 20910382) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID20910382
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccccc3)c2)cc1OC
InChIInChI=1S/C20H19N3O5S/c1-27-18-9-8-15(11-19(18)28-2)22-20(24)14-10-16(13-21-12-14)23-29(25,26)17-6-4-3-5-7-17/h3-13,23H,1-2H3,(H,22,24)
InChIKeyDQOURMWZSLLPGD-UHFFFAOYSA-N
XLogP3.15
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methoxyphenyl)sulfonylamino]-N-phenylpyridine-3-carboxamide
CID 20910442
5-(benzenesulfonamido)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 20910390
5-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 20960000
5-[(4-acetamidophenyl)sulfonylamino]-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 46345779
N-(3,4-difluorophenyl)-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxamide
CID 20910450
4-(benzenesulfonamido)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 2982933
N-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26695232
N-(3,4-dimethoxyphenyl)-5-(N-ethylanilino)pyridine-3-carboxamide
CID 109243640
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
N-(3-acetamido-4-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 24666755
4-(benzenesulfonamido)-N-(3,4-diethoxyphenyl)benzamide
CID 43009389

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide (CID 20910382) is 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NS(=O)(=O)c3ccccc3)c2)cc1OC.
What is the InChIKey of 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is DQOURMWZSLLPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-27-18-9-8-15(11-19(18)28-2)22-20(24)14-10-16(13-21-12-14)23-29(25,26)17-6-4-3-5-7-17/h3-13,23H,1-2H3,(H,22,24).
What are the key properties of 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide?
5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 20910382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).