2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine

C24H25N5O2S — CID 87969673

IUPAC2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
SMILESCCCC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C24H25N5O2S/c1-2-3-11-22(27-28-24(25)26)21-16-29(23-12-7-6-10-20(21)23)32(30,31)19-14-13-17-8-4-5-9-18(17)15-19/h4-10,12-16H,2-3,11H2,1H3,(H4,25,26,28)/b27-22+
InChIKeyUVZQPQFNTWCSRU-HPNDGRJYSA-N
MW447.56 g/mol
LogP4.20
Rot. Bonds7

About 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine

2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine (PubChem CID 87969673) has the molecular formula C24H25N5O2S and a molecular weight of 447.56 g/mol. Its IUPAC name is 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
PubChem CID87969673
Molecular FormulaC24H25N5O2S
Molecular Weight447.56 g/mol
Exact Mass447.17
IUPAC Name2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine
SMILESCCCC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12
InChIInChI=1S/C24H25N5O2S/c1-2-3-11-22(27-28-24(25)26)21-16-29(23-12-7-6-10-20(21)23)32(30,31)19-14-13-17-8-4-5-9-18(17)15-19/h4-10,12-16H,2-3,11H2,1H3,(H4,25,26,28)/b27-22+
InChIKeyUVZQPQFNTWCSRU-HPNDGRJYSA-N
XLogP4.20
TPSA115.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine (CID 87969673) is 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine is CCCC/C(=N\N=C(N)N)c1cn(S(=O)(=O)c2ccc3ccccc3c2)c2ccccc12.
What is the InChIKey of 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine?
The InChIKey is UVZQPQFNTWCSRU-HPNDGRJYSA-N. The full InChI is InChI=1S/C24H25N5O2S/c1-2-3-11-22(27-28-24(25)26)21-16-29(23-12-7-6-10-20(21)23)32(30,31)19-14-13-17-8-4-5-9-18(17)15-19/h4-10,12-16H,2-3,11H2,1H3,(H4,25,26,28)/b27-22+.
What are the key properties of 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine?
2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine has a molecular weight of 447.56 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-(1-naphthalen-2-ylsulfonylindol-3-yl)pentylideneamino]guanidine is sourced from PubChem (CID 87969673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).