N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide

C13H14N4O3S — CID 165352801

IUPACN-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccnn2)cc1
InChIInChI=1S/C13H14N4O3S/c14-21(19,20)11-5-3-10(4-6-11)7-9-15-13(18)12-2-1-8-16-17-12/h1-6,8H,7,9H2,(H,15,18)(H2,14,19,20)
InChIKeyXEDCZBUREGPBCP-UHFFFAOYSA-N
MW306.35 g/mol
LogP0.10
Rot. Bonds5

About N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide

N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide (PubChem CID 165352801) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
PubChem CID165352801
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC NameN-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cccnn2)cc1
InChIInChI=1S/C13H14N4O3S/c14-21(19,20)11-5-3-10(4-6-11)7-9-15-13(18)12-2-1-8-16-17-12/h1-6,8H,7,9H2,(H,15,18)(H2,14,19,20)
InChIKeyXEDCZBUREGPBCP-UHFFFAOYSA-N
XLogP0.10
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)pyridazine-3-carboxamide
CID 5299221
6-(propylamino)-N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide
CID 109109114
N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 152622333
N-[2-(4-sulfamoylphenyl)ethyl]quinoline-7-carboxamide
CID 146077356
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]thiadiazole-5-carboxamide
CID 7576744
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[2-(4-sulfamoylphenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 18272294
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 6420184
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
6-anilino-N-[2-(4-sulfamoylphenyl)ethyl]pyrimidine-4-carboxamide
CID 109352293
1-pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]pyrrole-2-carboxamide
CID 52998688
1-(4-methylphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]triazole-4-carboxamide
CID 39040917

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
The IUPAC name of N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide (CID 165352801) is N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cccnn2)cc1.
What is the InChIKey of N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
The InChIKey is XEDCZBUREGPBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c14-21(19,20)11-5-3-10(4-6-11)7-9-15-13(18)12-2-1-8-16-17-12/h1-6,8H,7,9H2,(H,15,18)(H2,14,19,20).
What are the key properties of N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide?
N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide has a molecular weight of 306.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-sulfamoylphenyl)ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 165352801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).