1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine

C26H22N6O2S — CID 89307081

IUPAC1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine
SMILESN#CN/C(=N\Cc1cccnc1)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C26H22N6O2S/c27-19-30-26(29-18-20-7-6-16-28-17-20)31-22-12-14-23(15-13-22)32-35(33,34)25-11-5-4-10-24(25)21-8-2-1-3-9-21/h1-17,32H,18H2,(H2,29,30,31)
InChIKeyBZYAFKPTXFOFJC-UHFFFAOYSA-N
MW482.57 g/mol
LogP4.59
Rot. Bonds7

About 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine

1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine (PubChem CID 89307081) has the molecular formula C26H22N6O2S and a molecular weight of 482.57 g/mol. Its IUPAC name is 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine
PubChem CID89307081
Molecular FormulaC26H22N6O2S
Molecular Weight482.57 g/mol
Exact Mass482.15
IUPAC Name1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine
SMILESN#CN/C(=N\Cc1cccnc1)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C26H22N6O2S/c27-19-30-26(29-18-20-7-6-16-28-17-20)31-22-12-14-23(15-13-22)32-35(33,34)25-11-5-4-10-24(25)21-8-2-1-3-9-21/h1-17,32H,18H2,(H2,29,30,31)
InChIKeyBZYAFKPTXFOFJC-UHFFFAOYSA-N
XLogP4.59
TPSA119.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)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

1-amino-3-(3-methyl-4-pyridinyl)-2-[[4-[(2-phenylphenyl)sulfonylamino]phenyl]methyl]guanidine
CID 123385633
1-(4-aminobutyl)-3-cyano-2-(pyridin-3-ylmethyl)guanidine
CID 141141789
1-cyano-2-[3-[(2-phenylphenyl)sulfinylamino]propyl]-3-pyridin-3-ylguanidine
CID 118565479
6-[3-[[N-cyano-N'-(pyridin-3-ylmethyl)carbamimidoyl]amino]phenyl]-6-pyridin-3-ylhex-5-enoic acid
CID 54513053
1-[(3,5-dichlorophenyl)methyl]-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]urea
CID 71140307
3-methoxy-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818521
1-cyano-3-phenyl-2-(pyridin-2-ylmethyl)guanidine
CID 140989208
N'-benzyl-N-cyanopyridine-3-carboximidamide
CID 10105525
3-fluoro-N-[N-phenyl-N'-(pyridin-3-ylmethyl)carbamimidoyl]benzamide
CID 50818460
1-cyano-2-[[4-(4-fluorophenyl)sulfonylphenyl]methyl]-3-pyridin-4-ylguanidine
CID 87073246
1-cyano-2-[[4-(4-cyanophenyl)sulfonylphenyl]methyl]-3-pyridin-4-ylguanidine
CID 56928257
1-[4-[(4-aminonaphthalen-1-yl)sulfonylamino]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 72544237

Frequently Asked Questions

What is the IUPAC name of 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine?
The IUPAC name of 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine (CID 89307081) is 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine.
What is the SMILES notation for 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine?
The canonical SMILES for 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine is N#CN/C(=N\Cc1cccnc1)Nc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine?
The InChIKey is BZYAFKPTXFOFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N6O2S/c27-19-30-26(29-18-20-7-6-16-28-17-20)31-22-12-14-23(15-13-22)32-35(33,34)25-11-5-4-10-24(25)21-8-2-1-3-9-21/h1-17,32H,18H2,(H2,29,30,31).
What are the key properties of 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine?
1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine has a molecular weight of 482.57 g/mol, XLogP of 4.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-3-[4-[(2-phenylphenyl)sulfonylamino]phenyl]-2-(pyridin-3-ylmethyl)guanidine is sourced from PubChem (CID 89307081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).