N'-(benzenesulfonyl)-3-butoxybenzohydrazide

C17H20N2O4S — CID 135298529

IUPACN'-(benzenesulfonyl)-3-butoxybenzohydrazide
SMILESCCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O4S/c1-2-3-12-23-15-9-7-8-14(13-15)17(20)18-19-24(21,22)16-10-5-4-6-11-16/h4-11,13,19H,2-3,12H2,1H3,(H,18,20)
InChIKeyIPPMHKSTAIYWDZ-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.49
Rot. Bonds8

About N'-(benzenesulfonyl)-3-butoxybenzohydrazide

N'-(benzenesulfonyl)-3-butoxybenzohydrazide (PubChem CID 135298529) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-3-butoxybenzohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-3-butoxybenzohydrazide
PubChem CID135298529
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN'-(benzenesulfonyl)-3-butoxybenzohydrazide
SMILESCCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O4S/c1-2-3-12-23-15-9-7-8-14(13-15)17(20)18-19-24(21,22)16-10-5-4-6-11-16/h4-11,13,19H,2-3,12H2,1H3,(H,18,20)
InChIKeyIPPMHKSTAIYWDZ-UHFFFAOYSA-N
XLogP2.49
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-(benzenesulfonyl)-3-butoxybenzohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-3-butoxybenzohydrazide (CID 135298529) is N'-(benzenesulfonyl)-3-butoxybenzohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-3-butoxybenzohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-3-butoxybenzohydrazide is CCCCOc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N'-(benzenesulfonyl)-3-butoxybenzohydrazide?
The InChIKey is IPPMHKSTAIYWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-2-3-12-23-15-9-7-8-14(13-15)17(20)18-19-24(21,22)16-10-5-4-6-11-16/h4-11,13,19H,2-3,12H2,1H3,(H,18,20).
What are the key properties of N'-(benzenesulfonyl)-3-butoxybenzohydrazide?
N'-(benzenesulfonyl)-3-butoxybenzohydrazide has a molecular weight of 348.42 g/mol, XLogP of 2.49, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-3-butoxybenzohydrazide is sourced from PubChem (CID 135298529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).