4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide

C13H21N3O3S — CID 2803366

IUPAC4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3O3S/c1-3-9-16(10-4-2)20(18,19)12-7-5-11(6-8-12)13(17)15-14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKeyCYAUUZFONPDXKJ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.10
Rot. Bonds7

About 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide

4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide (PubChem CID 2803366) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide.

Molecular Properties

Compound Name4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide
PubChem CID2803366
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN)cc1
InChIInChI=1S/C13H21N3O3S/c1-3-9-16(10-4-2)20(18,19)12-7-5-11(6-8-12)13(17)15-14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
InChIKeyCYAUUZFONPDXKJ-UHFFFAOYSA-N
XLogP1.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.10
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-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide?
The IUPAC name of 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide (CID 2803366) is 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide.
What is the SMILES notation for 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide?
The canonical SMILES for 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NN)cc1.
What is the InChIKey of 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide?
The InChIKey is CYAUUZFONPDXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-3-9-16(10-4-2)20(18,19)12-7-5-11(6-8-12)13(17)15-14/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17).
What are the key properties of 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide?
4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydrazinecarbonyl)-N,N-dipropylbenzenesulfonamide is sourced from PubChem (CID 2803366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).