2-(2,4-dimethylphenyl)sulfonylguanidine

C9H13N3O2S — CID 46256438

IUPAC2-(2,4-dimethylphenyl)sulfonylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N)c(C)c1
InChIInChI=1S/C9H13N3O2S/c1-6-3-4-8(7(2)5-6)15(13,14)12-9(10)11/h3-5H,1-2H3,(H4,10,11,12)
InChIKeyPDBLMAMHNVRIHL-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.27
Rot. Bonds2

About 2-(2,4-dimethylphenyl)sulfonylguanidine

2-(2,4-dimethylphenyl)sulfonylguanidine (PubChem CID 46256438) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)sulfonylguanidine
PubChem CID46256438
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name2-(2,4-dimethylphenyl)sulfonylguanidine
SMILESCc1ccc(S(=O)(=O)N=C(N)N)c(C)c1
InChIInChI=1S/C9H13N3O2S/c1-6-3-4-8(7(2)5-6)15(13,14)12-9(10)11/h3-5H,1-2H3,(H4,10,11,12)
InChIKeyPDBLMAMHNVRIHL-UHFFFAOYSA-N
XLogP0.27
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.27
H-Bond Donors ≤ 52
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

2-(diaminomethylideneamino)-4-methylbenzenesulfonic acid
CID 156788571
3-[(2,4-dimethylphenyl)sulfonyl-ethylamino]-N'-hydroxypropanimidamide
CID 76910468
1-(diiodomethylsulfonyl)-2,4-dimethylbenzene
CID 21439611
3-[(2,4-dimethylphenyl)sulfonylamino]-N'-hydroxybutanimidamide
CID 76934654
(2S)-1-(2,4-dimethylphenyl)sulfonylpropan-2-ol
CID 124624181
bis[(2,4-dimethylphenyl)sulfonyloxy]phosphanyl 2,4-dimethylbenzenesulfonate
CID 158936885
4-methyl-2-(methylamino)benzenesulfonamide
CID 20558501
N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
CID 63767520
3-[(2,4-dimethylphenyl)sulfonyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911591
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
1-(2,4-dimethylphenyl)sulfonyl-4-methylpyrazole
CID 22771646

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)sulfonylguanidine?
The IUPAC name of 2-(2,4-dimethylphenyl)sulfonylguanidine (CID 46256438) is 2-(2,4-dimethylphenyl)sulfonylguanidine.
What is the SMILES notation for 2-(2,4-dimethylphenyl)sulfonylguanidine?
The canonical SMILES for 2-(2,4-dimethylphenyl)sulfonylguanidine is Cc1ccc(S(=O)(=O)N=C(N)N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)sulfonylguanidine?
The InChIKey is PDBLMAMHNVRIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-3-4-8(7(2)5-6)15(13,14)12-9(10)11/h3-5H,1-2H3,(H4,10,11,12).
What are the key properties of 2-(2,4-dimethylphenyl)sulfonylguanidine?
2-(2,4-dimethylphenyl)sulfonylguanidine has a molecular weight of 227.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)sulfonylguanidine is sourced from PubChem (CID 46256438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).