2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine

C17H18N6O2S — CID 135804742

IUPAC2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C17H18N6O2S/c1-11(21-22-17(18)19)15-10-20-16-8-7-12(9-14(15)16)23-26(24,25)13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H4,18,19,22)/b21-11+
InChIKeyWANVPEYYQBHQTO-SRZZPIQSSA-N
MW370.44 g/mol
LogP1.97
Rot. Bonds5

About 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine

2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine (PubChem CID 135804742) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine
PubChem CID135804742
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12
InChIInChI=1S/C17H18N6O2S/c1-11(21-22-17(18)19)15-10-20-16-8-7-12(9-14(15)16)23-26(24,25)13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H4,18,19,22)/b21-11+
InChIKeyWANVPEYYQBHQTO-SRZZPIQSSA-N
XLogP1.97
TPSA138.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine (CID 135804742) is 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12.
What is the InChIKey of 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine?
The InChIKey is WANVPEYYQBHQTO-SRZZPIQSSA-N. The full InChI is InChI=1S/C17H18N6O2S/c1-11(21-22-17(18)19)15-10-20-16-8-7-12(9-14(15)16)23-26(24,25)13-5-3-2-4-6-13/h2-10,20,23H,1H3,(H4,18,19,22)/b21-11+.
What are the key properties of 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine?
2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine has a molecular weight of 370.44 g/mol, XLogP of 1.97, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[5-(benzenesulfonamido)-1H-indol-3-yl]ethylideneamino]guanidine is sourced from PubChem (CID 135804742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).