N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide

C22H18FN3O4S — CID 2078287

IUPACN'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H18FN3O4S/c23-19-10-3-2-9-18(19)22(28)25-24-21(27)16-7-5-8-17(14-16)31(29,30)26-13-12-15-6-1-4-11-20(15)26/h1-11,14H,12-13H2,(H,24,27)(H,25,28)
InChIKeyYIQODFFOKRCDKF-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.65
Rot. Bonds4

About N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide

N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide (PubChem CID 2078287) has the molecular formula C22H18FN3O4S and a molecular weight of 439.47 g/mol. Its IUPAC name is N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide.

Molecular Properties

Compound NameN'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide
PubChem CID2078287
Molecular FormulaC22H18FN3O4S
Molecular Weight439.47 g/mol
Exact Mass439.10
IUPAC NameN'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide
SMILESO=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H18FN3O4S/c23-19-10-3-2-9-18(19)22(28)25-24-21(27)16-7-5-8-17(14-16)31(29,30)26-13-12-15-6-1-4-11-20(15)26/h1-11,14H,12-13H2,(H,24,27)(H,25,28)
InChIKeyYIQODFFOKRCDKF-UHFFFAOYSA-N
XLogP2.65
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide 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 N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide?
The IUPAC name of N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide (CID 2078287) is N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide.
What is the SMILES notation for N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide?
The canonical SMILES for N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide is O=C(NNC(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide?
The InChIKey is YIQODFFOKRCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O4S/c23-19-10-3-2-9-18(19)22(28)25-24-21(27)16-7-5-8-17(14-16)31(29,30)26-13-12-15-6-1-4-11-20(15)26/h1-11,14H,12-13H2,(H,24,27)(H,25,28).
What are the key properties of N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide?
N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide has a molecular weight of 439.47 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,3-dihydroindol-1-ylsulfonyl)benzoyl]-2-fluorobenzohydrazide is sourced from PubChem (CID 2078287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).