N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide

C12H19N3O2S — CID 63955641

IUPACN-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C12H19N3O2S/c1-2-15(9-10-3-4-10)18(16,17)12-7-5-11(14-13)6-8-12/h5-8,10,14H,2-4,9,13H2,1H3
InChIKeyBJLPRLBACLIZAT-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.39
Rot. Bonds6

About N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide

N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide (PubChem CID 63955641) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
PubChem CID63955641
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC NameN-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide
SMILESCCN(CC1CC1)S(=O)(=O)c1ccc(NN)cc1
InChIInChI=1S/C12H19N3O2S/c1-2-15(9-10-3-4-10)18(16,17)12-7-5-11(14-13)6-8-12/h5-8,10,14H,2-4,9,13H2,1H3
InChIKeyBJLPRLBACLIZAT-UHFFFAOYSA-N
XLogP1.39
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.39
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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Related Compounds

N-(cyclopropylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 60985675
N-(cyclopentylmethyl)-4-hydrazinyl-N-methylbenzenesulfonamide
CID 55248102
2-[4-[cyclopropylmethyl(ethyl)sulfamoyl]phenyl]ethanethioamide
CID 79195550
N-(cyclobutylmethyl)-N-ethyl-2-hydrazinylpyridine-4-sulfonamide
CID 107399527
4-amino-N-(cyclopropylmethyl)-N-ethyl-3-methoxybenzenesulfonamide
CID 81438555
N-(cyclopropylmethyl)-4-methyl-N-propylbenzenesulfonamide
CID 23996210
N-(cyclopropylmethyl)-N-ethyl-6-(propylamino)pyridine-3-sulfonamide
CID 63940107
4-(3-chloropropyl)-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107402746
4-amino-3-chloro-N-(cyclobutylmethyl)-N-ethylbenzenesulfonamide
CID 107399642
4-cyano-N-ethyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79702963
N-(cyclopropylmethyl)-4-ethyl-N-propylbenzenesulfonamide
CID 3449691
2-bromo-5-[cyclopropylmethyl(ethyl)sulfamoyl]benzoic acid
CID 63954323

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide (CID 63955641) is N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide is CCN(CC1CC1)S(=O)(=O)c1ccc(NN)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide?
The InChIKey is BJLPRLBACLIZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-2-15(9-10-3-4-10)18(16,17)12-7-5-11(14-13)6-8-12/h5-8,10,14H,2-4,9,13H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide?
N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-ethyl-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 63955641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).