3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide

C13H14N4O3S — CID 107469946

IUPAC3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H14N4O3S/c1-20-11-6-2-5-10(13(14)15)12(11)17-21(18,19)9-4-3-7-16-8-9/h2-8,17H,1H3,(H3,14,15)
InChIKeyYTZGGOKRJQPYTP-UHFFFAOYSA-N
MW306.35 g/mol
LogP1.18
Rot. Bonds5

About 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide

3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide (PubChem CID 107469946) has the molecular formula C13H14N4O3S and a molecular weight of 306.35 g/mol. Its IUPAC name is 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide.

Molecular Properties

Compound Name3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
PubChem CID107469946
Molecular FormulaC13H14N4O3S
Molecular Weight306.35 g/mol
Exact Mass306.08
IUPAC Name3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)c1cccnc1
InChIInChI=1S/C13H14N4O3S/c1-20-11-6-2-5-10(13(14)15)12(11)17-21(18,19)9-4-3-7-16-8-9/h2-8,17H,1H3,(H3,14,15)
InChIKeyYTZGGOKRJQPYTP-UHFFFAOYSA-N
XLogP1.18
TPSA118.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.35
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide 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

3-methoxy-2-(propan-2-ylsulfamoylamino)benzenecarboximidamide
CID 107469971
3-methoxy-2-(3-methylbutylsulfonylamino)benzenecarboximidamide
CID 107469929
N-(3,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 25048223
ethyl N-(2-carbamimidoyl-6-methoxyphenyl)carbamate
CID 107469921
3-(2-carbamimidoyl-6-methoxyphenyl)-1,1-dimethylurea
CID 107469909
N'-hydroxy-3-methoxy-2-(1H-pyrazol-4-ylsulfonylamino)benzenecarboximidamide
CID 107469796
N-(3-chloro-4-methoxyphenyl)pyridine-3-sulfonamide
CID 110865835
3-[(3-methoxyphenyl)sulfamoyl]benzenecarboximidamide
CID 71454986
1-(2-carbamimidoyl-6-methoxyphenyl)-3-cyclopropylurea
CID 107469918
N-(3-chloro-5,6-dimethoxy-2-pyridinyl)pyridine-3-sulfonamide
CID 140673297
3-(pyridin-3-ylsulfonylamino)pyridine-4-carboxamide
CID 56807069
2-[[4-[4-[(2-carboxy-6-methoxyphenyl)sulfamoyl]phenyl]phenyl]sulfonylamino]-3-methoxybenzoic acid
CID 11250505

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide?
The IUPAC name of 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide (CID 107469946) is 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide.
What is the SMILES notation for 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide?
The canonical SMILES for 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OC)c1NS(=O)(=O)c1cccnc1.
What is the InChIKey of 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide?
The InChIKey is YTZGGOKRJQPYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S/c1-20-11-6-2-5-10(13(14)15)12(11)17-21(18,19)9-4-3-7-16-8-9/h2-8,17H,1H3,(H3,14,15).
What are the key properties of 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide?
3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide has a molecular weight of 306.35 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(pyridin-3-ylsulfonylamino)benzenecarboximidamide is sourced from PubChem (CID 107469946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).