1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine

C15H18N6O3S — CID 168602860

IUPAC1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)cc1
InChIInChI=1S/C15H18N6O3S/c1-24-12-6-2-11(3-7-12)21-25(22,23)13-8-4-10(5-9-13)19-15(18)20-14(16)17/h2-9,21H,1H3,(H6,16,17,18,19,20)
InChIKeyYHKBBGBXOVDCQM-UHFFFAOYSA-N
MW362.42 g/mol
LogP0.72
Rot. Bonds5

About 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine (PubChem CID 168602860) has the molecular formula C15H18N6O3S and a molecular weight of 362.42 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
PubChem CID168602860
Molecular FormulaC15H18N6O3S
Molecular Weight362.42 g/mol
Exact Mass362.12
IUPAC Name1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
SMILESCOc1ccc(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)cc1
InChIInChI=1S/C15H18N6O3S/c1-24-12-6-2-11(3-7-12)21-25(22,23)13-8-4-10(5-9-13)19-15(18)20-14(16)17/h2-9,21H,1H3,(H6,16,17,18,19,20)
InChIKeyYHKBBGBXOVDCQM-UHFFFAOYSA-N
XLogP0.72
TPSA158.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 50.72
H-Bond Donors ≤ 54
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

1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168603610
2-chloro-N'-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]ethanimidamide
CID 169366539
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
[(Z)-[amino-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]methylidene]amino] acetate
CID 53243732
1-(4-aminophenyl)-3-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]urea
CID 166423475
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
N-(4-anilinophenyl)-4-methoxybenzenesulfonamide
CID 1011074
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
1-(diaminomethylidene)-2-[3-[(4-fluorophenyl)sulfonylamino]phenyl]guanidine
CID 168603569
N-(4-ethynylphenyl)-4-methoxybenzenesulfonamide
CID 102481786
N-[4-[(4-methoxyphenyl)sulfonylamino]phenyl]-2-methylpropanamide
CID 26965582

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine (CID 168602860) is 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine is COc1ccc(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine?
The InChIKey is YHKBBGBXOVDCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3S/c1-24-12-6-2-11(3-7-12)21-25(22,23)13-8-4-10(5-9-13)19-15(18)20-14(16)17/h2-9,21H,1H3,(H6,16,17,18,19,20).
What are the key properties of 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine has a molecular weight of 362.42 g/mol, XLogP of 0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine is sourced from PubChem (CID 168602860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).