2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine

C21H24ClN5O3S — CID 87970805

IUPAC2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine
SMILESCCCC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C21H24ClN5O3S/c1-3-4-5-19(25-26-21(23)24)18-13-27(20-11-6-14(22)12-17(18)20)31(28,29)16-9-7-15(30-2)8-10-16/h6-13H,3-5H2,1-2H3,(H4,23,24,26)/b25-19+
InChIKeyAKZINFGRBOLCJP-NCELDCMTSA-N
MW461.98 g/mol
LogP3.71
Rot. Bonds8

About 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine

2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine (PubChem CID 87970805) has the molecular formula C21H24ClN5O3S and a molecular weight of 461.98 g/mol. Its IUPAC name is 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine
PubChem CID87970805
Molecular FormulaC21H24ClN5O3S
Molecular Weight461.98 g/mol
Exact Mass461.13
IUPAC Name2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine
SMILESCCCC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C21H24ClN5O3S/c1-3-4-5-19(25-26-21(23)24)18-13-27(20-11-6-14(22)12-17(18)20)31(28,29)16-9-7-15(30-2)8-10-16/h6-13H,3-5H2,1-2H3,(H4,23,24,26)/b25-19+
InChIKeyAKZINFGRBOLCJP-NCELDCMTSA-N
XLogP3.71
TPSA125.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.98
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine (CID 87970805) is 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine is CCCC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine?
The InChIKey is AKZINFGRBOLCJP-NCELDCMTSA-N. The full InChI is InChI=1S/C21H24ClN5O3S/c1-3-4-5-19(25-26-21(23)24)18-13-27(20-11-6-14(22)12-17(18)20)31(28,29)16-9-7-15(30-2)8-10-16/h6-13H,3-5H2,1-2H3,(H4,23,24,26)/b25-19+.
What are the key properties of 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine?
2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine has a molecular weight of 461.98 g/mol, XLogP of 3.71, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[5-chloro-1-(4-methoxyphenyl)sulfonylindol-3-yl]pentylideneamino]guanidine is sourced from PubChem (CID 87970805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).