[3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine

C11H17ClN4O2S — CID 102538774

IUPAC[3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine
SMILESNNc1c(Cl)cncc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H17ClN4O2S/c12-9-7-14-8-10(11(9)15-13)19(17,18)16-5-3-1-2-4-6-16/h7-8H,1-6,13H2,(H,14,15)
InChIKeyYSHHAEGGMIMTGA-UHFFFAOYSA-N
MW304.80 g/mol
LogP1.59
Rot. Bonds3

About [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine

[3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine (PubChem CID 102538774) has the molecular formula C11H17ClN4O2S and a molecular weight of 304.80 g/mol. Its IUPAC name is [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine
PubChem CID102538774
Molecular FormulaC11H17ClN4O2S
Molecular Weight304.80 g/mol
Exact Mass304.08
IUPAC Name[3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine
SMILESNNc1c(Cl)cncc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C11H17ClN4O2S/c12-9-7-14-8-10(11(9)15-13)19(17,18)16-5-3-1-2-4-6-16/h7-8H,1-6,13H2,(H,14,15)
InChIKeyYSHHAEGGMIMTGA-UHFFFAOYSA-N
XLogP1.59
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine?
The IUPAC name of [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine (CID 102538774) is [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine.
What is the SMILES notation for [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine?
The canonical SMILES for [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine is NNc1c(Cl)cncc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine?
The InChIKey is YSHHAEGGMIMTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2S/c12-9-7-14-8-10(11(9)15-13)19(17,18)16-5-3-1-2-4-6-16/h7-8H,1-6,13H2,(H,14,15).
What are the key properties of [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine?
[3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine has a molecular weight of 304.80 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-ylsulfonyl)-5-chloro-4-pyridinyl]hydrazine is sourced from PubChem (CID 102538774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).