3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide

C9H13N3O3S — CID 3848951

IUPAC3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKeyPDYSBCAKDARVOS-UHFFFAOYSA-N
MW243.29 g/mol
LogP-0.46
Rot. Bonds3

About 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide

3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide (PubChem CID 3848951) has the molecular formula C9H13N3O3S and a molecular weight of 243.29 g/mol. Its IUPAC name is 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
PubChem CID3848951
Molecular FormulaC9H13N3O3S
Molecular Weight243.29 g/mol
Exact Mass243.07
IUPAC Name3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)NN)c1
InChIInChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
InChIKeyPDYSBCAKDARVOS-UHFFFAOYSA-N
XLogP-0.46
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 5-0.46
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 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide (CID 3848951) is 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1cccc(C(=O)NN)c1.
What is the InChIKey of 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
The InChIKey is PDYSBCAKDARVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3S/c1-12(2)16(14,15)8-5-3-4-7(6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13).
What are the key properties of 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide?
3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide has a molecular weight of 243.29 g/mol, XLogP of -0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydrazinecarbonyl)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 3848951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).