4-chloro-N-(methylsulfamoyl)pyridin-2-amine

C6H8ClN3O2S — CID 114813660

IUPAC4-chloro-N-(methylsulfamoyl)pyridin-2-amine
SMILESCNS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C6H8ClN3O2S/c1-8-13(11,12)10-6-4-5(7)2-3-9-6/h2-4,8H,1H3,(H,9,10)
InChIKeyWWWQXCVWDBHDQX-UHFFFAOYSA-N
MW221.67 g/mol
LogP0.61
Rot. Bonds3

About 4-chloro-N-(methylsulfamoyl)pyridin-2-amine

4-chloro-N-(methylsulfamoyl)pyridin-2-amine (PubChem CID 114813660) has the molecular formula C6H8ClN3O2S and a molecular weight of 221.67 g/mol. Its IUPAC name is 4-chloro-N-(methylsulfamoyl)pyridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(methylsulfamoyl)pyridin-2-amine
PubChem CID114813660
Molecular FormulaC6H8ClN3O2S
Molecular Weight221.67 g/mol
Exact Mass221.00
IUPAC Name4-chloro-N-(methylsulfamoyl)pyridin-2-amine
SMILESCNS(=O)(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C6H8ClN3O2S/c1-8-13(11,12)10-6-4-5(7)2-3-9-6/h2-4,8H,1H3,(H,9,10)
InChIKeyWWWQXCVWDBHDQX-UHFFFAOYSA-N
XLogP0.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.67
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(methylsulfamoyl)pyridin-2-amine?
The IUPAC name of 4-chloro-N-(methylsulfamoyl)pyridin-2-amine (CID 114813660) is 4-chloro-N-(methylsulfamoyl)pyridin-2-amine.
What is the SMILES notation for 4-chloro-N-(methylsulfamoyl)pyridin-2-amine?
The canonical SMILES for 4-chloro-N-(methylsulfamoyl)pyridin-2-amine is CNS(=O)(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(methylsulfamoyl)pyridin-2-amine?
The InChIKey is WWWQXCVWDBHDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O2S/c1-8-13(11,12)10-6-4-5(7)2-3-9-6/h2-4,8H,1H3,(H,9,10).
What are the key properties of 4-chloro-N-(methylsulfamoyl)pyridin-2-amine?
4-chloro-N-(methylsulfamoyl)pyridin-2-amine has a molecular weight of 221.67 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(methylsulfamoyl)pyridin-2-amine is sourced from PubChem (CID 114813660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).