1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine

C16H20N6O4S — CID 168603610

IUPAC1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)c1
InChIInChI=1S/C16H20N6O4S/c1-25-11-5-8-14(26-2)13(9-11)22-27(23,24)12-6-3-10(4-7-12)20-16(19)21-15(17)18/h3-9,22H,1-2H3,(H6,17,18,19,20,21)
InChIKeyGAXNPOAWJDFGMM-UHFFFAOYSA-N
MW392.44 g/mol
LogP0.72
Rot. Bonds6

About 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine

1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine (PubChem CID 168603610) has the molecular formula C16H20N6O4S and a molecular weight of 392.44 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
PubChem CID168603610
Molecular FormulaC16H20N6O4S
Molecular Weight392.44 g/mol
Exact Mass392.13
IUPAC Name1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)c1
InChIInChI=1S/C16H20N6O4S/c1-25-11-5-8-14(26-2)13(9-11)22-27(23,24)12-6-3-10(4-7-12)20-16(19)21-15(17)18/h3-9,22H,1-2H3,(H6,17,18,19,20,21)
InChIKeyGAXNPOAWJDFGMM-UHFFFAOYSA-N
XLogP0.72
TPSA167.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[(4-methoxyphenyl)sulfamoyl]phenyl]guanidine
CID 168602860
4-[(2,5-dimethoxyphenyl)sulfamoyl]benzoate
CID 4060147
4-(aminomethyl)-N-(2,5-dimethoxyphenyl)benzenesulfonamide;hydrochloride
CID 172999625
N-(2,5-dimethoxyphenyl)-3,5-dimethoxybenzenesulfonamide
CID 24989180
ethyl 2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126118135
N-(2,5-dimethoxyphenyl)naphthalene-2-sulfonamide
CID 823335
N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]-3-iodo-4-methoxybenzenesulfonamide
CID 126412231
methyl 4-methoxy-3-[(4-methoxyphenyl)sulfonylamino]benzoate
CID 3707700
N-(2,5-dimethoxyphenyl)-3-(hydrazinecarbonyl)benzenesulfonamide
CID 100657262
N-(2,5-dimethoxyphenyl)-3-nitrobenzenesulfonamide
CID 2885763
(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977921
2-(benzenesulfonamido)-N-(2,5-dimethoxyphenyl)benzamide
CID 4233924

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine (CID 168603610) is 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine is COc1ccc(OC)c(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine?
The InChIKey is GAXNPOAWJDFGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O4S/c1-25-11-5-8-14(26-2)13(9-11)22-27(23,24)12-6-3-10(4-7-12)20-16(19)21-15(17)18/h3-9,22H,1-2H3,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine has a molecular weight of 392.44 g/mol, XLogP of 0.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(2,5-dimethoxyphenyl)sulfamoyl]phenyl]guanidine is sourced from PubChem (CID 168603610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).