4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide

C20H19N3O4S — CID 30162680

IUPAC4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncccc3O)cc2)cc1C
InChIInChI=1S/C20H19N3O4S/c1-13-5-10-17(12-14(13)2)28(26,27)23-16-8-6-15(7-9-16)20(25)22-19-18(24)4-3-11-21-19/h3-12,23-24H,1-2H3,(H,21,22,25)
InChIKeyHVPPTZRAHXWEAZ-UHFFFAOYSA-N
MW397.46 g/mol
LogP3.46
Rot. Bonds5

About 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide

4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide (PubChem CID 30162680) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
PubChem CID30162680
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncccc3O)cc2)cc1C
InChIInChI=1S/C20H19N3O4S/c1-13-5-10-17(12-14(13)2)28(26,27)23-16-8-6-15(7-9-16)20(25)22-19-18(24)4-3-11-21-19/h3-12,23-24H,1-2H3,(H,21,22,25)
InChIKeyHVPPTZRAHXWEAZ-UHFFFAOYSA-N
XLogP3.46
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-pyridinyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 18109617
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(1H-pyrazol-5-yl)benzamide
CID 47835624
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(4-fluoro-2-methylphenyl)benzamide
CID 26886474
N-(3-hydroxy-2-pyridinyl)-4-methylbenzamide
CID 25342946
4-[(3,4-dimethylphenyl)sulfonylamino]-N-ethylbenzamide
CID 51163080
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 55658123
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[2-(propan-2-ylcarbamoylamino)phenyl]benzamide
CID 55964177
3,4-dimethyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
CID 1078179
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)benzamide
CID 26684839
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-methylbutan-2-yl)benzamide
CID 46651145
4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30161951
3-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 35032875

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide?
The IUPAC name of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide (CID 30162680) is 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ncccc3O)cc2)cc1C.
What is the InChIKey of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide?
The InChIKey is HVPPTZRAHXWEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-13-5-10-17(12-14(13)2)28(26,27)23-16-8-6-15(7-9-16)20(25)22-19-18(24)4-3-11-21-19/h3-12,23-24H,1-2H3,(H,21,22,25).
What are the key properties of 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide?
4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide has a molecular weight of 397.46 g/mol, XLogP of 3.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dimethylphenyl)sulfonylamino]-N-(3-hydroxy-2-pyridinyl)benzamide is sourced from PubChem (CID 30162680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).