N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide

C19H22N2O4S — CID 8617486

IUPACN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)25-17-9-6-15(7-10-17)19(22)20-21-26(23,24)18-11-8-14-4-3-5-16(14)12-18/h6-13,21H,3-5H2,1-2H3,(H,20,22)
InChIKeyFMJUUIFVMZPPJE-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.59
Rot. Bonds6

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

N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide (PubChem CID 8617486) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
PubChem CID8617486
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC NameN'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide
SMILESCC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C19H22N2O4S/c1-13(2)25-17-9-6-15(7-10-17)19(22)20-21-26(23,24)18-11-8-14-4-3-5-16(14)12-18/h6-13,21H,3-5H2,1-2H3,(H,20,22)
InChIKeyFMJUUIFVMZPPJE-UHFFFAOYSA-N
XLogP2.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(3-methylbutoxy)benzohydrazide
CID 8617605
4-[[(4-propan-2-yloxybenzoyl)amino]sulfamoyl]benzoic acid
CID 45477229
4-bromo-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 26951568
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanehydrazide
CID 8505533
2-(4-cyanophenoxy)-N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)acetohydrazide
CID 8614390
N-[(4-propan-2-yloxyphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704146
4-propan-2-yloxy-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]benzamide
CID 133191484
methyl (2R)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)propanoate
CID 113257635
1-methyl-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrole-2-carbohydrazide
CID 18092883
2-fluoro-N'-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)benzohydrazide
CID 8523938
4-propan-2-yloxy-N'-(1,3,5-trimethylpyrazol-4-yl)sulfonylbenzohydrazide
CID 8823114
4-methoxy-N'-[(2-oxo-1,3-dihydroindol-5-yl)sulfonyl]benzohydrazide
CID 9056007

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide?
The IUPAC name of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide (CID 8617486) is N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide is CC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide?
The InChIKey is FMJUUIFVMZPPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-13(2)25-17-9-6-15(7-10-17)19(22)20-21-26(23,24)18-11-8-14-4-3-5-16(14)12-18/h6-13,21H,3-5H2,1-2H3,(H,20,22).
What are the key properties of N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide?
N'-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-propan-2-yloxybenzohydrazide has a molecular weight of 374.46 g/mol, XLogP of 2.59, 6 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-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 8617486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).