2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine

C19H23N3O2S — CID 11810448

IUPAC2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine
SMILESCc1ccc(S(=O)(=O)N/C(=N/C2CCCC2)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-15-11-13-18(14-12-15)25(23,24)22-19(21-17-9-5-6-10-17)20-16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H2,20,21,22)
InChIKeyHJVHLFFURYHCGF-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.68
Rot. Bonds4

About 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine

2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine (PubChem CID 11810448) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine
PubChem CID11810448
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine
SMILESCc1ccc(S(=O)(=O)N/C(=N/C2CCCC2)Nc2ccccc2)cc1
InChIInChI=1S/C19H23N3O2S/c1-15-11-13-18(14-12-15)25(23,24)22-19(21-17-9-5-6-10-17)20-16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H2,20,21,22)
InChIKeyHJVHLFFURYHCGF-UHFFFAOYSA-N
XLogP3.68
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
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-cycloheptyl-1-methylsulfonyl-3-phenylguanidine
CID 46379193
methyl 2-[[N-(benzenesulfonyl)-N'-cyclohexylcarbamimidoyl]amino]benzoate
CID 10409601
1-(benzenesulfonyl)-2,3-dicyclohexylguanidine;1,2-dicyclohexyl-3-(4-methylphenyl)sulfonylguanidine;1,2-dicyclohexyl-3-methylsulfonylguanidine;1,2-dicyclohexyl-3-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)guanidine;1,2-dicyclohexyl-3-(trifluoromethylsulfonyl)guanidine
CID 159855979
1-amino-2-cyclopentyl-3-(4-methylphenyl)guanidine
CID 116512584
N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
CID 163987430
2-[2-[(4-methylphenyl)sulfonylamino]-2-oxoethyl]sulfanyl-N-phenylacetamide
CID 7747387
N-[(1R,2R)-2-(4-methylanilino)cyclohexyl]benzenesulfonamide
CID 1121471
4-[(4-methylphenyl)sulfonylamino]-N-phenylpiperidine-1-carboxamide
CID 46380328
1-[3-(benzenesulfonamido)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 146591354
methyl N-(4-aminophenyl)sulfonyl-N'-cyclohexylcarbamimidothioate
CID 10381802
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1,2-dicyclohexyl-1-(6-fluoro-3-phenylisoquinolin-1-yl)-3-(4-methylphenyl)sulfonylguanidine
CID 53496189

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine?
The IUPAC name of 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine (CID 11810448) is 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine.
What is the SMILES notation for 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine?
The canonical SMILES for 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine is Cc1ccc(S(=O)(=O)N/C(=N/C2CCCC2)Nc2ccccc2)cc1.
What is the InChIKey of 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine?
The InChIKey is HJVHLFFURYHCGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-15-11-13-18(14-12-15)25(23,24)22-19(21-17-9-5-6-10-17)20-16-7-3-2-4-8-16/h2-4,7-8,11-14,17H,5-6,9-10H2,1H3,(H2,20,21,22).
What are the key properties of 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine?
2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine has a molecular weight of 357.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine is sourced from PubChem (CID 11810448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).