N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide

C13H21N3O2S — CID 63656151

IUPACN-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-6-2-3-7-11)19(17,18)13-9-5-4-8-12(13)15-14/h4-5,8-9,11,15H,2-3,6-7,10,14H2,1H3
InChIKeyHBTAHEOLQQMPIL-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.78
Rot. Bonds5

About N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide

N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide (PubChem CID 63656151) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
PubChem CID63656151
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
SMILESCN(CC1CCCC1)S(=O)(=O)c1ccccc1NN
InChIInChI=1S/C13H21N3O2S/c1-16(10-11-6-2-3-7-11)19(17,18)13-9-5-4-8-12(13)15-14/h4-5,8-9,11,15H,2-3,6-7,10,14H2,1H3
InChIKeyHBTAHEOLQQMPIL-UHFFFAOYSA-N
XLogP1.78
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.78
H-Bond Donors ≤ 52
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-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide?
The IUPAC name of N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide (CID 63656151) is N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide?
The canonical SMILES for N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide is CN(CC1CCCC1)S(=O)(=O)c1ccccc1NN.
What is the InChIKey of N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide?
The InChIKey is HBTAHEOLQQMPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-16(10-11-6-2-3-7-11)19(17,18)13-9-5-4-8-12(13)15-14/h4-5,8-9,11,15H,2-3,6-7,10,14H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide?
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 63656151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).