2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid

C7H9ClN4O4S — CID 14670072

IUPAC2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid
SMILESNNc1ncc(S(=O)(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C7H9ClN4O4S/c8-5-1-4(2-10-7(5)12-9)17(15,16)11-3-6(13)14/h1-2,11H,3,9H2,(H,10,12)(H,13,14)
InChIKeyAEIIWMSEXXXQKE-UHFFFAOYSA-N
MW280.69 g/mol
LogP-0.62
Rot. Bonds5

About 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid

2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid (PubChem CID 14670072) has the molecular formula C7H9ClN4O4S and a molecular weight of 280.69 g/mol. Its IUPAC name is 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid
PubChem CID14670072
Molecular FormulaC7H9ClN4O4S
Molecular Weight280.69 g/mol
Exact Mass280.00
IUPAC Name2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid
SMILESNNc1ncc(S(=O)(=O)NCC(=O)O)cc1Cl
InChIInChI=1S/C7H9ClN4O4S/c8-5-1-4(2-10-7(5)12-9)17(15,16)11-3-6(13)14/h1-2,11H,3,9H2,(H,10,12)(H,13,14)
InChIKeyAEIIWMSEXXXQKE-UHFFFAOYSA-N
XLogP-0.62
TPSA134.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.69
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid (CID 14670072) is 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid is NNc1ncc(S(=O)(=O)NCC(=O)O)cc1Cl.
What is the InChIKey of 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid?
The InChIKey is AEIIWMSEXXXQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O4S/c8-5-1-4(2-10-7(5)12-9)17(15,16)11-3-6(13)14/h1-2,11H,3,9H2,(H,10,12)(H,13,14).
What are the key properties of 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid?
2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid has a molecular weight of 280.69 g/mol, XLogP of -0.62, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-hydrazinyl-3-pyridinyl)sulfonylamino]acetic acid is sourced from PubChem (CID 14670072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).