1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine

C13H15N5O2S — CID 70031724

IUPAC1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N(N)c2ccccn2)cc1
InChIInChI=1S/C13H15N5O2S/c1-10-5-7-11(8-6-10)21(19,20)17-13(14)18(15)12-4-2-3-9-16-12/h2-9H,15H2,1H3,(H2,14,17)
InChIKeyVGYZGWDNUMMBQM-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.77
Rot. Bonds3

About 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine

1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine (PubChem CID 70031724) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine
PubChem CID70031724
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N(N)c2ccccn2)cc1
InChIInChI=1S/C13H15N5O2S/c1-10-5-7-11(8-6-10)21(19,20)17-13(14)18(15)12-4-2-3-9-16-12/h2-9H,15H2,1H3,(H2,14,17)
InChIKeyVGYZGWDNUMMBQM-UHFFFAOYSA-N
XLogP0.77
TPSA114.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine 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

1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
CID 67176300
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
4-methylbenzenesulfonic acid;2-pyridin-2-ylpyridine
CID 118437639
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-(4-methylphenyl)sulfonylpyrazine-2-carboximidamide
CID 170856051
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
CID 4610108
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
1,3-diamino-1-pyridin-2-ylurea
CID 70487705
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine?
The IUPAC name of 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine (CID 70031724) is 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine?
The canonical SMILES for 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine is Cc1ccc(S(=O)(=O)N=C(N)N(N)c2ccccn2)cc1.
What is the InChIKey of 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine?
The InChIKey is VGYZGWDNUMMBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-10-5-7-11(8-6-10)21(19,20)17-13(14)18(15)12-4-2-3-9-16-12/h2-9H,15H2,1H3,(H2,14,17).
What are the key properties of 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine?
1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine has a molecular weight of 305.36 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine is sourced from PubChem (CID 70031724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).