N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide

C13H19N3O2S — CID 61481014

IUPACN-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C13H19N3O2S/c14-15-11-5-7-12(8-6-11)19(17,18)16-13(9-1-2-9)10-3-4-10/h5-10,13,15-16H,1-4,14H2
InChIKeyHKCXZXSZXCOYDJ-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.44
Rot. Bonds6

About N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide

N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide (PubChem CID 61481014) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
PubChem CID61481014
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1
InChIInChI=1S/C13H19N3O2S/c14-15-11-5-7-12(8-6-11)19(17,18)16-13(9-1-2-9)10-3-4-10/h5-10,13,15-16H,1-4,14H2
InChIKeyHKCXZXSZXCOYDJ-UHFFFAOYSA-N
XLogP1.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.44
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

4-(dicyclopropylmethylsulfamoyl)benzoic acid
CID 60715455
N-butan-2-yl-4-hydrazinylbenzenesulfonamide
CID 43454951
4-hydrazinyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43455143
methyl 4-(dicyclopropylmethylsulfamoyl)benzoate
CID 31847332
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
4-(dicyclopropylmethylamino)-N-methylbenzenesulfonamide
CID 43742541
4-(aminomethyl)-N-(dicyclopropylmethyl)-3-methylbenzenesulfonamide
CID 106919258
4-amino-N-(dicyclopropylmethyl)-3-methoxybenzenesulfonamide
CID 81438751
3-(aminomethyl)-N-(dicyclopropylmethyl)benzenesulfonamide
CID 61482582
N-(dicyclopropylmethyl)-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 31847318
4-hydrazinyl-N-(1-phenylpropyl)benzenesulfonamide
CID 62305238
N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-hydrazinylbenzenesulfonamide
CID 61478066

Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide?
The IUPAC name of N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide (CID 61481014) is N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide.
What is the SMILES notation for N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide?
The canonical SMILES for N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide is NNc1ccc(S(=O)(=O)NC(C2CC2)C2CC2)cc1.
What is the InChIKey of N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide?
The InChIKey is HKCXZXSZXCOYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c14-15-11-5-7-12(8-6-11)19(17,18)16-13(9-1-2-9)10-3-4-10/h5-10,13,15-16H,1-4,14H2.
What are the key properties of N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide?
N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide has a molecular weight of 281.38 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-4-hydrazinylbenzenesulfonamide is sourced from PubChem (CID 61481014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).