2-tert-butyl-1-(4-sulfamoylphenyl)guanidine

C11H18N4O2S — CID 55068310

IUPAC2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)15-10(12)14-8-4-6-9(7-5-8)18(13,16)17/h4-7H,1-3H3,(H3,12,14,15)(H2,13,16,17)
InChIKeyFRVAQTJPDFPUDK-UHFFFAOYSA-N
MW270.36 g/mol
LogP0.86
Rot. Bonds2

About 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine

2-tert-butyl-1-(4-sulfamoylphenyl)guanidine (PubChem CID 55068310) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine.

Molecular Properties

Compound Name2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
PubChem CID55068310
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC Name2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
SMILESCC(C)(C)/N=C(\N)Nc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N4O2S/c1-11(2,3)15-10(12)14-8-4-6-9(7-5-8)18(13,16)17/h4-7H,1-3H3,(H3,12,14,15)(H2,13,16,17)
InChIKeyFRVAQTJPDFPUDK-UHFFFAOYSA-N
XLogP0.86
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 50.86
H-Bond Donors ≤ 53
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

2-tert-butyl-1-(4-tert-butylphenyl)guanidine
CID 55068593
2-tert-butyl-1-[4-(trifluoromethyl)phenyl]guanidine
CID 62378703
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
CID 2873992
2-tert-butyl-1-(4-propan-2-yloxyphenyl)guanidine
CID 55068406
3,5-ditert-butyl-N-(4-sulfamoylphenyl)benzamide
CID 2322744
1-carbamoyl-3-(4-sulfamoylphenyl)urea
CID 86191002
2-[(2-methylpropan-2-yl)oxy]-N-(4-sulfamoylphenyl)acetamide
CID 112602943
4-(2-hydroxypropan-2-yl)benzenesulfonamide
CID 68722995
2-tert-butyl-1-(1,3-dioxoisoindol-5-yl)guanidine
CID 55068353
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
CID 91742405

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine?
The IUPAC name of 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine (CID 55068310) is 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine.
What is the SMILES notation for 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine?
The canonical SMILES for 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine is CC(C)(C)/N=C(\N)Nc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine?
The InChIKey is FRVAQTJPDFPUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-11(2,3)15-10(12)14-8-4-6-9(7-5-8)18(13,16)17/h4-7H,1-3H3,(H3,12,14,15)(H2,13,16,17).
What are the key properties of 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine?
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine has a molecular weight of 270.36 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(4-sulfamoylphenyl)guanidine is sourced from PubChem (CID 55068310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).