N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide

C15H15N3O3S — CID 44532283

IUPACN-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(/C=C/c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C15H15N3O3S/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)22(16,20)21/h2-10H,1H3,(H,17,19)(H2,16,20,21)/b7-6+
InChIKeyPPIGVCKSGWXEBE-VOTSOKGWSA-N
MW317.37 g/mol
LogP1.26
Rot. Bonds4

About N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide

N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide (PubChem CID 44532283) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide
PubChem CID44532283
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide
SMILESCNC(=O)c1cncc(/C=C/c2ccccc2S(N)(=O)=O)c1
InChIInChI=1S/C15H15N3O3S/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)22(16,20)21/h2-10H,1H3,(H,17,19)(H2,16,20,21)/b7-6+
InChIKeyPPIGVCKSGWXEBE-VOTSOKGWSA-N
XLogP1.26
TPSA102.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide?
The IUPAC name of N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide (CID 44532283) is N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide?
The canonical SMILES for N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide is CNC(=O)c1cncc(/C=C/c2ccccc2S(N)(=O)=O)c1.
What is the InChIKey of N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide?
The InChIKey is PPIGVCKSGWXEBE-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-17-15(19)13-8-11(9-18-10-13)6-7-12-4-2-3-5-14(12)22(16,20)21/h2-10H,1H3,(H,17,19)(H2,16,20,21)/b7-6+.
What are the key properties of N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide?
N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(E)-2-(2-sulfamoylphenyl)ethenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44532283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).