N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide

C21H26N2O4S — CID 8617605

IUPACN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)12-13-27-19-9-6-17(7-10-19)21(24)22-23-28(25,26)20-11-8-16-4-3-5-18(16)14-20/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyHCPFSEHQMBGHJK-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.22
Rot. Bonds8

About N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide

N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide (PubChem CID 8617605) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
PubChem CID8617605
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
SMILESCC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C21H26N2O4S/c1-15(2)12-13-27-19-9-6-17(7-10-19)21(24)22-23-28(25,26)20-11-8-16-4-3-5-18(16)14-20/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,24)
InChIKeyHCPFSEHQMBGHJK-UHFFFAOYSA-N
XLogP3.22
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
CID 8617486
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
N'-(2-fluorophenyl)sulfonyl-4-(3-methylbutoxy)benzohydrazide
CID 8617549
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465
N'-[4-(3-methylbutoxy)benzoyl]-4-propan-2-ylbenzohydrazide
CID 17177576
N'-(4-fluorobenzoyl)-4-(3-methylbutoxy)benzohydrazide
CID 4927856
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-hexoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 18197725
4-ethoxy-N'-(4-propan-2-ylphenyl)sulfonylbenzohydrazide
CID 8617267
N'-(3,4-dimethylphenyl)sulfonyl-4-ethoxybenzohydrazide
CID 8617249

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide (CID 8617605) is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide is CC(C)CCOc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide?
The InChIKey is HCPFSEHQMBGHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15(2)12-13-27-19-9-6-17(7-10-19)21(24)22-23-28(25,26)20-11-8-16-4-3-5-18(16)14-20/h6-11,14-15,23H,3-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide?
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide has a molecular weight of 402.52 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide is sourced from PubChem (CID 8617605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).