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

C84H135F12N15O10S5 — CID 159855979

IUPAC1-(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
SMILESCS(=O)(=O)N/C(=N\C1CCCCC1)NC1CCCCC1.Cc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1.O=S(=O)(N/C(=N/C1CCCCC1)NC1CCCCC1)c1ccccc1.O=S(=O)(N/C(=N\C1CCCCC1)NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(N/C(=N\C1CCCCC1)NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H31N3O2S.C19H29N3O2S.C17H24F9N3O2S.C14H24F3N3O2S.C14H27N3O2S/c1-16-12-14-19(15-13-16)26(24,25)23-20(21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18;23-25(24,18-14-8-3-9-15-18)22-19(20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17;18-14(19,16(22,23)24)15(20,21)17(25,26)32(30,31)29-13(27-11-7-3-1-4-8-11)28-12-9-5-2-6-10-12;15-14(16,17)23(21,22)20-13(18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12;1-20(18,19)17-14(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h12-15,17-18H,2-11H2,1H3,(H2,21,22,23);3,8-9,14-17H,1-2,4-7,10-13H2,(H2,20,21,22);11-12H,1-10H2,(H2,27,28,29);11-12H,1-10H2,(H2,18,19,20);12-13H,2-11H2,1H3,(H2,15,16,17)
InChIKeyNQNNBOPXGLGDLZ-UHFFFAOYSA-N
MW1903.41 g/mol
LogP17.59
Rot. Bonds20

About 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

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 (PubChem CID 159855979) has the molecular formula C84H135F12N15O10S5 and a molecular weight of 1903.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159855979
Molecular FormulaC84H135F12N15O10S5
Molecular Weight1903.41 g/mol
Exact Mass1901.89
IUPAC Name1-(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
SMILESCS(=O)(=O)N/C(=N\C1CCCCC1)NC1CCCCC1.Cc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1.O=S(=O)(N/C(=N/C1CCCCC1)NC1CCCCC1)c1ccccc1.O=S(=O)(N/C(=N\C1CCCCC1)NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(N/C(=N\C1CCCCC1)NC1CCCCC1)C(F)(F)F
InChIInChI=1S/C20H31N3O2S.C19H29N3O2S.C17H24F9N3O2S.C14H24F3N3O2S.C14H27N3O2S/c1-16-12-14-19(15-13-16)26(24,25)23-20(21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18;23-25(24,18-14-8-3-9-15-18)22-19(20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17;18-14(19,16(22,23)24)15(20,21)17(25,26)32(30,31)29-13(27-11-7-3-1-4-8-11)28-12-9-5-2-6-10-12;15-14(16,17)23(21,22)20-13(18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12;1-20(18,19)17-14(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h12-15,17-18H,2-11H2,1H3,(H2,21,22,23);3,8-9,14-17H,1-2,4-7,10-13H2,(H2,20,21,22);11-12H,1-10H2,(H2,27,28,29);11-12H,1-10H2,(H2,18,19,20);12-13H,2-11H2,1H3,(H2,15,16,17)
InChIKeyNQNNBOPXGLGDLZ-UHFFFAOYSA-N
XLogP17.59
TPSA352.80 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds20
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001903.41
LogP ≤ 517.59
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopentyl-1-(4-methylphenyl)sulfonyl-3-phenylguanidine
CID 11810448
2-cycloheptyl-1-methylsulfonyl-3-phenylguanidine
CID 46379193
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
methyl 2-[[N-(benzenesulfonyl)-N'-cyclohexylcarbamimidoyl]amino]benzoate
CID 10409601
1-cycloheptyl-3-[4-(trifluoromethoxy)phenyl]sulfonylurea
CID 163523295
1,2-dicyclohexyl-1-(6-fluoro-3-phenylisoquinolin-1-yl)-3-(4-methylphenyl)sulfonylguanidine
CID 53496189
N-[4-[(N'-cyclohexylcarbamimidoyl)sulfamoyl]phenyl]acetamide
CID 163987430
N-cycloheptyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamide
CID 102224999
1-cyclohexyl-2-[2-[(4-methylphenyl)sulfonylamino]ethyl]guanidine;hydroiodide
CID 111043745
N-(benzenesulfonyl)-N'-(4-methylphenyl)sulfonylpropanediamide
CID 135051885
1-cyclohexyl-3-(4-phenoxyphenyl)sulfonylurea
CID 163582481
3-(benzenesulfonamido)-N-cycloheptyl-4-methylbenzamide
CID 19062561

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)N/C(=N\C1CCCCC1)NC1CCCCC1.Cc1ccc(S(=O)(=O)N/C(=N/C2CCCCC2)NC2CCCCC2)cc1.O=S(=O)(N/C(=N/C1CCCCC1)NC1CCCCC1)c1ccccc1.O=S(=O)(N/C(=N\C1CCCCC1)NC1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)(N/C(=N\C1CCCCC1)NC1CCCCC1)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is NQNNBOPXGLGDLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2S.C19H29N3O2S.C17H24F9N3O2S.C14H24F3N3O2S.C14H27N3O2S/c1-16-12-14-19(15-13-16)26(24,25)23-20(21-17-8-4-2-5-9-17)22-18-10-6-3-7-11-18;23-25(24,18-14-8-3-9-15-18)22-19(20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17;18-14(19,16(22,23)24)15(20,21)17(25,26)32(30,31)29-13(27-11-7-3-1-4-8-11)28-12-9-5-2-6-10-12;15-14(16,17)23(21,22)20-13(18-11-7-3-1-4-8-11)19-12-9-5-2-6-10-12;1-20(18,19)17-14(15-12-8-4-2-5-9-12)16-13-10-6-3-7-11-13/h12-15,17-18H,2-11H2,1H3,(H2,21,22,23);3,8-9,14-17H,1-2,4-7,10-13H2,(H2,20,21,22);11-12H,1-10H2,(H2,27,28,29);11-12H,1-10H2,(H2,18,19,20);12-13H,2-11H2,1H3,(H2,15,16,17).
What are the key properties of 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?
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 has a molecular weight of 1903.41 g/mol, XLogP of 17.59, 20 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159855979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).