2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine

C16H19N3O2S — CID 140967674

IUPAC2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine
SMILESCC(C)c1ccc(S(=O)(=O)N=C(N)N)c(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O2S/c1-11(2)13-8-9-15(22(20,21)19-16(17)18)14(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H4,17,18,19)
InChIKeyMHUNNKIMWAPGSW-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.44
Rot. Bonds4

About 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine

2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine (PubChem CID 140967674) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine.

Molecular Properties

Compound Name2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine
PubChem CID140967674
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine
SMILESCC(C)c1ccc(S(=O)(=O)N=C(N)N)c(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O2S/c1-11(2)13-8-9-15(22(20,21)19-16(17)18)14(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H4,17,18,19)
InChIKeyMHUNNKIMWAPGSW-UHFFFAOYSA-N
XLogP2.44
TPSA98.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.44
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

1-chloro-2-phenyl-4-propan-2-ylbenzene
CID 59853112
2-[4-[4-phenyl-2,6-di(propan-2-yl)pyridin-1-ium-1-yl]phenyl]sulfonylguanidine
CID 10602464
N-(diaminomethylidene)-4-phenyl-2-propan-2-yl-5-sulfamoylbenzamide
CID 18976412
2,6-diphenyl-4-propan-2-ylphenol
CID 155045328
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
2-(2,4-dimethylphenyl)sulfonylguanidine
CID 46256438
2-phenyl-5-propan-2-ylbenzohydrazide
CID 162373085
4-methyl-1-phenyl-6-propan-2-ylnaphthalene
CID 157491424
2-[4-(2,6-dimethyl-4-phenylpyridin-1-ium-1-yl)phenyl]sulfonylguanidine perchlorate
CID 10838457
4-hydroxy-2-phenylbenzenesulfonamide
CID 141283170
10-(4-phenylphenyl)-2-propan-2-yl-10H-anthracen-9-one
CID 145450986
(2-methyl-5-propan-2-ylphenyl) N-(benzenesulfonyl)benzenecarboximidate
CID 5076051

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine?
The IUPAC name of 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine (CID 140967674) is 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine.
What is the SMILES notation for 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine?
The canonical SMILES for 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine is CC(C)c1ccc(S(=O)(=O)N=C(N)N)c(-c2ccccc2)c1.
What is the InChIKey of 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine?
The InChIKey is MHUNNKIMWAPGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(2)13-8-9-15(22(20,21)19-16(17)18)14(10-13)12-6-4-3-5-7-12/h3-11H,1-2H3,(H4,17,18,19).
What are the key properties of 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine?
2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine has a molecular weight of 317.41 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenyl-4-propan-2-ylphenyl)sulfonylguanidine is sourced from PubChem (CID 140967674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).