2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide

C18H17N3O4S — CID 8614390

IUPAC2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H17N3O4S/c19-11-13-4-7-16(8-5-13)25-12-18(22)20-21-26(23,24)17-9-6-14-2-1-3-15(14)10-17/h4-10,21H,1-3,12H2,(H,20,22)
InChIKeyJTNDZTCNEVPVMS-UHFFFAOYSA-N
MW371.42 g/mol
LogP1.44
Rot. Bonds6

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

2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide (PubChem CID 8614390) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
PubChem CID8614390
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
SMILESN#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C18H17N3O4S/c19-11-13-4-7-16(8-5-13)25-12-18(22)20-21-26(23,24)17-9-6-14-2-1-3-15(14)10-17/h4-10,21H,1-3,12H2,(H,20,22)
InChIKeyJTNDZTCNEVPVMS-UHFFFAOYSA-N
XLogP1.44
TPSA108.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide 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'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
2-(3-fluorophenoxy)-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)acetohydrazide
CID 8506094
N-(4-cyanophenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 112978228
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
CID 8617486
2-(4-cyanophenoxy)-N'-(2,5-dichlorophenyl)sulfonylacetohydrazide
CID 8614315
4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)benzonitrile
CID 61398915
N'-(4-chloro-2-fluorophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 8614364
N-[3-[(3-cyanophenyl)methoxy]phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 55689140
N-[3-[2-[2-(4-cyanophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 24635797
2-(4-nitrophenoxy)-N'-(4-nitrophenyl)sulfonylacetohydrazide
CID 19166679

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
The IUPAC name of 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide (CID 8614390) is 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
The canonical SMILES for 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide is N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
The InChIKey is JTNDZTCNEVPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c19-11-13-4-7-16(8-5-13)25-12-18(22)20-21-26(23,24)17-9-6-14-2-1-3-15(14)10-17/h4-10,21H,1-3,12H2,(H,20,22).
What are the key properties of 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide?
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide has a molecular weight of 371.42 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide is sourced from PubChem (CID 8614390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).