N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide

C16H17N3O3S — CID 109058441

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

About N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide

N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 109058441) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID109058441
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESC=CCNC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-2-9-18-16(20)14-3-5-15(6-4-14)23(21,22)19-12-13-7-10-17-11-8-13/h2-8,10-11,19H,1,9,12H2,(H,18,20)
InChIKeyXJTPWJRFUMYMPQ-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'}

Analyze N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(prop-2-enylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 45029526
4-(benzylsulfamoyl)-N-prop-2-enylbenzamide
CID 109058425
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-prop-2-enylbenzamide
CID 8621593
N-(2-methoxyethyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109059702
4-[2-(dimethylamino)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058420
4-[2-(4-fluorophenyl)ethylsulfamoyl]-N-prop-2-enylbenzamide
CID 109058444
N-[(4-acetamidophenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 18229481
N-[(4-methoxyphenyl)methyl]-4-(prop-2-enylsulfamoyl)benzamide
CID 2557674
4-methylsulfonyl-N-prop-2-enylbenzamide
CID 9442193
N-(2,5-dimethylphenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060984
N-(2-cyanophenyl)-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109060998
5-(benzylsulfamoyl)-2-methyl-N-prop-2-enylbenzamide
CID 35154379

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 109058441) is N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide is C=CCNC(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1.
What is the InChIKey of N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is XJTPWJRFUMYMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-9-18-16(20)14-3-5-15(6-4-14)23(21,22)19-12-13-7-10-17-11-8-13/h2-8,10-11,19H,1,9,12H2,(H,18,20).
What are the key properties of N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide?
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)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 N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109058441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).