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

C16H20N6O2S — CID 168603239

IUPAC1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine
SMILESCc1ccc(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)c(C)c1
InChIInChI=1S/C16H20N6O2S/c1-10-3-8-14(11(2)9-10)22-25(23,24)13-6-4-12(5-7-13)20-16(19)21-15(17)18/h3-9,22H,1-2H3,(H6,17,18,19,20,21)
InChIKeyCMAVRLBYWOVQIK-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.32
Rot. Bonds4

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

1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine (PubChem CID 168603239) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine
PubChem CID168603239
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine
SMILESCc1ccc(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)c(C)c1
InChIInChI=1S/C16H20N6O2S/c1-10-3-8-14(11(2)9-10)22-25(23,24)13-6-4-12(5-7-13)20-16(19)21-15(17)18/h3-9,22H,1-2H3,(H6,17,18,19,20,21)
InChIKeyCMAVRLBYWOVQIK-UHFFFAOYSA-N
XLogP1.32
TPSA148.95 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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

N-(2,4-dimethylphenyl)-3-methylbenzenesulfonamide
CID 47104337
N-(2,4-dimethylphenyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 43507393
4-methyl-N-[4-methyl-2-[(4-methylphenyl)sulfonylamino]phenyl]benzenesulfonamide
CID 1241617
4-[(2,5-dimethylphenyl)sulfamoyl]benzamide
CID 27187010
4-[(4-bromophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 1312782
N-(2,4-dimethylphenyl)-4-(methylaminomethyl)benzenesulfonamide
CID 28715386
4-methyl-N-(2,4,5-trimethylphenyl)benzenesulfonamide
CID 59317382
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
N-[2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]ethyl]acetamide
CID 94618182
N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94016012
N-[1-(2,4-dimethylphenyl)ethyl]-3-methyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 46770080
N,3-dimethyl-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 41465640

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine (CID 168603239) is 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine is Cc1ccc(NS(=O)(=O)c2ccc(/N=C(\N)N=C(N)N)cc2)c(C)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine?
The InChIKey is CMAVRLBYWOVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-10-3-8-14(11(2)9-10)22-25(23,24)13-6-4-12(5-7-13)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-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine?
1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine has a molecular weight of 360.44 g/mol, XLogP of 1.32, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]guanidine is sourced from PubChem (CID 168603239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).