4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide

C16H17N3O3S — CID 45029526

IUPAC4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-9-19-23(21,22)15-5-3-14(4-6-15)16(20)18-12-13-7-10-17-11-8-13/h2-8,10-11,19H,1,9,12H2,(H,18,20)
InChIKeyDYFDPAORQVYALA-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.48
Rot. Bonds7

About 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide

4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 45029526) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
PubChem CID45029526
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-9-19-23(21,22)15-5-3-14(4-6-15)16(20)18-12-13-7-10-17-11-8-13/h2-8,10-11,19H,1,9,12H2,(H,18,20)
InChIKeyDYFDPAORQVYALA-UHFFFAOYSA-N
XLogP1.48
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
N-[(3-fluoro-4-methylphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 25317177
N-[(2-chlorophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 26692241
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-(2-hydroxypropyl)-4-(prop-2-enylsulfamoyl)benzamide
CID 78856246
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
4-[[(2R)-oxolan-2-yl]methylsulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 9117546
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-[(3,5-dimethylphenyl)sulfamoyl]-N-(pyridin-4-ylmethyl)benzamide
CID 109060958

Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide (CID 45029526) is 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide is C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is DYFDPAORQVYALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-9-19-23(21,22)15-5-3-14(4-6-15)16(20)18-12-13-7-10-17-11-8-13/h2-8,10-11,19H,1,9,12H2,(H,18,20).
What are the key properties of 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide?
4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 331.40 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 45029526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).