4-propan-2-ylsulfonylbenzohydrazide

C10H14N2O3S — CID 30339

IUPAC4-propan-2-ylsulfonylbenzohydrazide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C10H14N2O3S/c1-7(2)16(14,15)9-5-3-8(4-6-9)10(13)12-11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyHRJYHANFBRZZNE-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.47
Rot. Bonds3

About 4-propan-2-ylsulfonylbenzohydrazide

4-propan-2-ylsulfonylbenzohydrazide (PubChem CID 30339) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is 4-propan-2-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name4-propan-2-ylsulfonylbenzohydrazide
PubChem CID30339
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name4-propan-2-ylsulfonylbenzohydrazide
SMILESCC(C)S(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C10H14N2O3S/c1-7(2)16(14,15)9-5-3-8(4-6-9)10(13)12-11/h3-7H,11H2,1-2H3,(H,12,13)
InChIKeyHRJYHANFBRZZNE-UHFFFAOYSA-N
XLogP0.47
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 4-propan-2-ylsulfonylbenzohydrazide?
The IUPAC name of 4-propan-2-ylsulfonylbenzohydrazide (CID 30339) is 4-propan-2-ylsulfonylbenzohydrazide.
What is the SMILES notation for 4-propan-2-ylsulfonylbenzohydrazide?
The canonical SMILES for 4-propan-2-ylsulfonylbenzohydrazide is CC(C)S(=O)(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-propan-2-ylsulfonylbenzohydrazide?
The InChIKey is HRJYHANFBRZZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-7(2)16(14,15)9-5-3-8(4-6-9)10(13)12-11/h3-7H,11H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-ylsulfonylbenzohydrazide?
4-propan-2-ylsulfonylbenzohydrazide has a molecular weight of 242.30 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylsulfonylbenzohydrazide is sourced from PubChem (CID 30339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).