1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine

C15H18N4O3S — CID 111059365

IUPAC1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H18N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16)18-10-11-3-2-4-14(9-11)23(17,20)21/h2-9H,10H2,1H3,(H3,16,18,19)(H2,17,20,21)
InChIKeyWIWMPFQPMOUXPK-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.27
Rot. Bonds5

About 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine

1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine (PubChem CID 111059365) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
PubChem CID111059365
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C15H18N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16)18-10-11-3-2-4-14(9-11)23(17,20)21/h2-9H,10H2,1H3,(H3,16,18,19)(H2,17,20,21)
InChIKeyWIWMPFQPMOUXPK-UHFFFAOYSA-N
XLogP1.27
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111811710
1-(3-ethylphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059401
2-[[3-[(3-fluorophenyl)methylsulfamoyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111068622
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
2-[[3-(methoxymethyl)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111053993
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-2-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111169563
1-(4-ethylphenyl)-2-[[3-(2-methoxyethylsulfamoyl)phenyl]methyl]guanidine;hydroiodide
CID 111811681
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine?
The IUPAC name of 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine (CID 111059365) is 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine is COc1ccc(N/C(N)=N/Cc2cccc(S(N)(=O)=O)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine?
The InChIKey is WIWMPFQPMOUXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-22-13-7-5-12(6-8-13)19-15(16)18-10-11-3-2-4-14(9-11)23(17,20)21/h2-9H,10H2,1H3,(H3,16,18,19)(H2,17,20,21).
What are the key properties of 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine?
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine has a molecular weight of 334.40 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine is sourced from PubChem (CID 111059365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).