2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine

C16H15N5O3S — CID 91895652

IUPAC2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)/b19-9+
InChIKeyHVRGRSJTLJOTDB-DJKKODMXSA-N
MW357.40 g/mol
LogP1.09
Rot. Bonds4

About 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine

2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine (PubChem CID 91895652) has the molecular formula C16H15N5O3S and a molecular weight of 357.40 g/mol. Its IUPAC name is 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine
PubChem CID91895652
Molecular FormulaC16H15N5O3S
Molecular Weight357.40 g/mol
Exact Mass357.09
IUPAC Name2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine
SMILESNC(N)=NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1
InChIInChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)/b19-9+
InChIKeyHVRGRSJTLJOTDB-DJKKODMXSA-N
XLogP1.09
TPSA140.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine (CID 91895652) is 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine is NC(N)=NS(=O)(=O)c1ccc(/N=C/C2C(=O)Nc3ccccc32)cc1.
What is the InChIKey of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine?
The InChIKey is HVRGRSJTLJOTDB-DJKKODMXSA-N. The full InChI is InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,13H,(H,20,22)(H4,17,18,21)/b19-9+.
What are the key properties of 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine?
2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine has a molecular weight of 357.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-oxo-1,3-dihydroindol-3-yl)methylideneamino]phenyl]sulfonylguanidine is sourced from PubChem (CID 91895652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).