N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide

C13H21N3O2S — CID 64922831

IUPACN-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccccc2NN)C1C
InChIInChI=1S/C13H21N3O2S/c1-9-7-8-11(10(9)2)16-19(17,18)13-6-4-3-5-12(13)15-14/h3-6,9-11,15-16H,7-8,14H2,1-2H3
InChIKeyALNUUBQTSLBYNJ-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.69
Rot. Bonds4

About N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide

N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 64922831) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
PubChem CID64922831
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide
SMILESCC1CCC(NS(=O)(=O)c2ccccc2NN)C1C
InChIInChI=1S/C13H21N3O2S/c1-9-7-8-11(10(9)2)16-19(17,18)13-6-4-3-5-12(13)15-14/h3-6,9-11,15-16H,7-8,14H2,1-2H3
InChIKeyALNUUBQTSLBYNJ-UHFFFAOYSA-N
XLogP1.69
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide (CID 64922831) is N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide is CC1CCC(NS(=O)(=O)c2ccccc2NN)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is ALNUUBQTSLBYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9-7-8-11(10(9)2)16-19(17,18)13-6-4-3-5-12(13)15-14/h3-6,9-11,15-16H,7-8,14H2,1-2H3.
What are the key properties of N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide?
N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 64922831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).