4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide

C14H23N3O3S — CID 11141517

IUPAC4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide
SMILESCCCC(CCC)C(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-5-11(6-4-2)14(18)17-16-12-7-9-13(10-8-12)21(15,19)20/h7-11,16H,3-6H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyOZPWDUIJGGSBIP-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.99
Rot. Bonds8

About 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide

4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide (PubChem CID 11141517) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide
PubChem CID11141517
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide
SMILESCCCC(CCC)C(=O)NNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H23N3O3S/c1-3-5-11(6-4-2)14(18)17-16-12-7-9-13(10-8-12)21(15,19)20/h7-11,16H,3-6H2,1-2H3,(H,17,18)(H2,15,19,20)
InChIKeyOZPWDUIJGGSBIP-UHFFFAOYSA-N
XLogP1.99
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide (CID 11141517) is 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide is CCCC(CCC)C(=O)NNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide?
The InChIKey is OZPWDUIJGGSBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-5-11(6-4-2)14(18)17-16-12-7-9-13(10-8-12)21(15,19)20/h7-11,16H,3-6H2,1-2H3,(H,17,18)(H2,15,19,20).
What are the key properties of 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide?
4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-propylpentanoyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 11141517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).