1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine

C15H17N3O2S — CID 67176300

IUPAC1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N(C)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S/c1-12-8-10-14(11-9-12)21(19,20)17-15(16)18(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,16,17)
InChIKeyDKYYYOJVZDJNPE-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.13
Rot. Bonds3

About 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine

1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine (PubChem CID 67176300) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine.

Molecular Properties

Compound Name1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
PubChem CID67176300
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N(C)c2ccccc2)cc1
InChIInChI=1S/C15H17N3O2S/c1-12-8-10-14(11-9-12)21(19,20)17-15(16)18(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,16,17)
InChIKeyDKYYYOJVZDJNPE-UHFFFAOYSA-N
XLogP2.13
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
1-amino-2-(4-methylphenyl)sulfonyl-1-pyridin-2-ylguanidine
CID 70031724
N'-(benzenesulfonyl)-N-methyl-N-phenylbenzenecarboximidamide
CID 6519001
4-methyl-N-[methyl(phenyl)hydrazinylidene]benzenesulfonamide
CID 71375412
methyl (E)-N-(4-methylphenyl)sulfonylbenzenecarboximidothioate
CID 5408818
N'-(benzenesulfonyl)-N-methyl-N-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2873223
4-methyl-N'-[N-(4-methylphenyl)sulfonyl-C-phenylcarbonimidoyl]benzenecarboximidamide
CID 2303263
2,2-dimethyl-N'-(4-methylphenyl)sulfonylpropanimidamide
CID 73166022
N-methyl-N-(2-methylphenyl)-N'-(4-methylphenyl)sulfonyl-2-phenylethanimidamide
CID 134847359
1-(dihydroxyamino)-2-(4-methylphenyl)sulfonylguanidine
CID 4610108
N'-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)benzenecarboximidamide
CID 6143727

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine?
The IUPAC name of 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine (CID 67176300) is 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine.
What is the SMILES notation for 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine?
The canonical SMILES for 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine is Cc1ccc(S(=O)(=O)N=C(N)N(C)c2ccccc2)cc1.
What is the InChIKey of 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine?
The InChIKey is DKYYYOJVZDJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-12-8-10-14(11-9-12)21(19,20)17-15(16)18(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,16,17).
What are the key properties of 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine?
1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine has a molecular weight of 303.39 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylphenyl)sulfonyl-1-phenylguanidine is sourced from PubChem (CID 67176300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).