4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

C12H17N5O2S — CID 43455140

IUPAC4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C12H17N5O2S/c13-16-11-2-4-12(5-3-11)20(18,19)15-6-1-8-17-9-7-14-10-17/h2-5,7,9-10,15-16H,1,6,8,13H2
InChIKeyXMIICICDJLWJDL-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.54
Rot. Bonds7

About 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide

4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide (PubChem CID 43455140) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
PubChem CID43455140
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
SMILESNNc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1
InChIInChI=1S/C12H17N5O2S/c13-16-11-2-4-12(5-3-11)20(18,19)15-6-1-8-17-9-7-14-10-17/h2-5,7,9-10,15-16H,1,6,8,13H2
InChIKeyXMIICICDJLWJDL-UHFFFAOYSA-N
XLogP0.54
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-imidazol-1-ylpropyl)-4-methylsulfanylbenzenesulfonamide
CID 6459195
4-amino-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 61324479
6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 28828807
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
5-(ethylamino)-N-(3-imidazol-1-ylpropyl)pyridine-3-sulfonamide
CID 94963622
N-(3-imidazol-1-ylpropyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694453
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993
5-amino-N-(3-imidazol-1-ylpropyl)-1-methylpyrazole-4-sulfonamide
CID 82459797
4-hydrazinyl-N-(2-imidazol-1-ylethyl)-2,6-dimethylbenzenesulfonamide
CID 107327911
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072939
5-(benzenesulfonyl)-N-(3-imidazol-1-ylpropyl)-2-methylbenzenesulfonamide
CID 25180445

Frequently Asked Questions

What is the IUPAC name of 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide (CID 43455140) is 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide is NNc1ccc(S(=O)(=O)NCCCn2ccnc2)cc1.
What is the InChIKey of 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
The InChIKey is XMIICICDJLWJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c13-16-11-2-4-12(5-3-11)20(18,19)15-6-1-8-17-9-7-14-10-17/h2-5,7,9-10,15-16H,1,6,8,13H2.
What are the key properties of 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide?
4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide has a molecular weight of 295.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-N-(3-imidazol-1-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43455140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).