N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide

C13H21N3O2S — CID 43455192

IUPACN-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H21N3O2S/c14-16-12-8-4-5-9-13(12)19(17,18)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15-16H,1-3,6-7,10,14H2
InChIKeyWRGDHXIMUVLEEA-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.83
Rot. Bonds5

About N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide

N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide (PubChem CID 43455192) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
PubChem CID43455192
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide
SMILESNNc1ccccc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C13H21N3O2S/c14-16-12-8-4-5-9-13(12)19(17,18)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15-16H,1-3,6-7,10,14H2
InChIKeyWRGDHXIMUVLEEA-UHFFFAOYSA-N
XLogP1.83
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.83
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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Related Compounds

N-(cyclohexylmethyl)-2-(propylamino)benzenesulfonamide
CID 62146052
2-cyano-N-(cyclopentylmethyl)benzenesulfonamide
CID 43317177
N-(1-cyclohexylpropyl)-2-hydrazinylbenzenesulfonamide
CID 62405804
2-hydrazinyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzenesulfonamide
CID 79350502
N-benzyl-2-hydrazinylbenzenesulfonamide
CID 43454886
5-amino-N-(cyclohexylmethyl)naphthalene-1-sulfonamide;hydrochloride
CID 22932490
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-[(4-ethylcyclohexyl)methyl]-2-(methylamino)benzenesulfonamide
CID 62152226
N-[5-(cyclohexylmethylsulfamoyl)naphthalen-1-yl]acetamide
CID 69047545
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzenesulfonamide
CID 63656151
2-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 62159127
N-(cyclopropylmethyl)-3-hydrazinylpyridine-2-sulfonamide
CID 103300867

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide (CID 43455192) is N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide is NNc1ccccc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide?
The InChIKey is WRGDHXIMUVLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-16-12-8-4-5-9-13(12)19(17,18)15-10-11-6-2-1-3-7-11/h4-5,8-9,11,15-16H,1-3,6-7,10,14H2.
What are the key properties of N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide?
N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 43455192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).