2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide

C17H17N3O3S — CID 9236400

IUPAC2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C1/CCc2ccccc21
InChIInChI=1S/C17H17N3O3S/c21-17(12-18-24(22,23)14-7-2-1-3-8-14)20-19-16-11-10-13-6-4-5-9-15(13)16/h1-9,18H,10-12H2,(H,20,21)/b19-16-
InChIKeyFFKMDVFQQLWLBL-MNDPQUGUSA-N
MW343.41 g/mol
LogP1.43
Rot. Bonds5

About 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide

2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide (PubChem CID 9236400) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
PubChem CID9236400
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
SMILESO=C(CNS(=O)(=O)c1ccccc1)N/N=C1/CCc2ccccc21
InChIInChI=1S/C17H17N3O3S/c21-17(12-18-24(22,23)14-7-2-1-3-8-14)20-19-16-11-10-13-6-4-5-9-15(13)16/h1-9,18H,10-12H2,(H,20,21)/b19-16-
InChIKeyFFKMDVFQQLWLBL-MNDPQUGUSA-N
XLogP1.43
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide?
The IUPAC name of 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide (CID 9236400) is 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide.
What is the SMILES notation for 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide?
The canonical SMILES for 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide is O=C(CNS(=O)(=O)c1ccccc1)N/N=C1/CCc2ccccc21.
What is the InChIKey of 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide?
The InChIKey is FFKMDVFQQLWLBL-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-17(12-18-24(22,23)14-7-2-1-3-8-14)20-19-16-11-10-13-6-4-5-9-15(13)16/h1-9,18H,10-12H2,(H,20,21)/b19-16-.
What are the key properties of 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide?
2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide has a molecular weight of 343.41 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonamido)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide is sourced from PubChem (CID 9236400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).