5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine

C9H15ClN4O3S — CID 71481006

IUPAC5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine
SMILESCOCCN(C)S(=O)(=O)Nc1cc(N)cnc1Cl
InChIInChI=1S/C9H15ClN4O3S/c1-14(3-4-17-2)18(15,16)13-8-5-7(11)6-12-9(8)10/h5-6,13H,3-4,11H2,1-2H3
InChIKeyKPPCGKDQQONPJJ-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.55
Rot. Bonds6

About 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine

5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine (PubChem CID 71481006) has the molecular formula C9H15ClN4O3S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine.

Molecular Properties

Compound Name5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine
PubChem CID71481006
Molecular FormulaC9H15ClN4O3S
Molecular Weight294.76 g/mol
Exact Mass294.06
IUPAC Name5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine
SMILESCOCCN(C)S(=O)(=O)Nc1cc(N)cnc1Cl
InChIInChI=1S/C9H15ClN4O3S/c1-14(3-4-17-2)18(15,16)13-8-5-7(11)6-12-9(8)10/h5-6,13H,3-4,11H2,1-2H3
InChIKeyKPPCGKDQQONPJJ-UHFFFAOYSA-N
XLogP0.55
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine?
The IUPAC name of 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine (CID 71481006) is 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine.
What is the SMILES notation for 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine?
The canonical SMILES for 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine is COCCN(C)S(=O)(=O)Nc1cc(N)cnc1Cl.
What is the InChIKey of 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine?
The InChIKey is KPPCGKDQQONPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O3S/c1-14(3-4-17-2)18(15,16)13-8-5-7(11)6-12-9(8)10/h5-6,13H,3-4,11H2,1-2H3.
What are the key properties of 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine?
5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine has a molecular weight of 294.76 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-3-[[2-methoxyethyl(methyl)sulfamoyl]amino]pyridine is sourced from PubChem (CID 71481006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).