N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

C21H19N3O4S — CID 24980717

IUPACN-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1
InChIInChI=1S/C21H19N3O4S/c1-2-14-24(17-9-4-3-5-10-17)29(27,28)18-11-6-8-16(15-18)21(26)23-20-19(25)12-7-13-22-20/h2-13,15,25H,1,14H2,(H,22,23,26)
InChIKeyNUNGAKBIZLNOGK-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.42
Rot. Bonds7

About N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide

N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (PubChem CID 24980717) has the molecular formula C21H19N3O4S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
PubChem CID24980717
Molecular FormulaC21H19N3O4S
Molecular Weight409.47 g/mol
Exact Mass409.11
IUPAC NameN-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
SMILESC=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1
InChIInChI=1S/C21H19N3O4S/c1-2-14-24(17-9-4-3-5-10-17)29(27,28)18-11-6-8-16(15-18)21(26)23-20-19(25)12-7-13-22-20/h2-13,15,25H,1,14H2,(H,22,23,26)
InChIKeyNUNGAKBIZLNOGK-UHFFFAOYSA-N
XLogP3.42
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2082409
N-(4-ethoxyphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 4799866
N-(2,4-dimethylphenyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2600003
N-benzhydryl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 3357015
N-pentan-3-yl-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 2623054
N-(2-phenylethyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 16547658
3-[benzyl-(2-methoxyphenyl)sulfamoyl]-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160867
N-phenyl-N-prop-2-enyl-3-(4-pyrimidin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4636977
3-[phenyl(prop-2-enyl)sulfamoyl]-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 17482321
2-[[3-[phenyl(prop-2-enyl)sulfamoyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2119777
3-(dimethylamino)-N-(3-hydroxy-2-pyridinyl)benzamide
CID 30160840
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide
CID 41291988

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The IUPAC name of N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide (CID 24980717) is N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The canonical SMILES for N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ncccc2O)c1.
What is the InChIKey of N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
The InChIKey is NUNGAKBIZLNOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4S/c1-2-14-24(17-9-4-3-5-10-17)29(27,28)18-11-6-8-16(15-18)21(26)23-20-19(25)12-7-13-22-20/h2-13,15,25H,1,14H2,(H,22,23,26).
What are the key properties of N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide?
N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide has a molecular weight of 409.47 g/mol, XLogP of 3.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-pyridinyl)-3-[phenyl(prop-2-enyl)sulfamoyl]benzamide is sourced from PubChem (CID 24980717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).