6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide

C13H14ClN3O2S — CID 64602647

IUPAC6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9-5-3-4-6-12(9)17(2)20(18,19)10-7-11(14)13(15)16-8-10/h3-8H,1-2H3,(H2,15,16)
InChIKeyYATFEROYQVPGPG-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.45
Rot. Bonds3

About 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide

6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 64602647) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide
PubChem CID64602647
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1cnc(N)c(Cl)c1
InChIInChI=1S/C13H14ClN3O2S/c1-9-5-3-4-6-12(9)17(2)20(18,19)10-7-11(14)13(15)16-8-10/h3-8H,1-2H3,(H2,15,16)
InChIKeyYATFEROYQVPGPG-UHFFFAOYSA-N
XLogP2.45
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide (CID 64602647) is 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1cnc(N)c(Cl)c1.
What is the InChIKey of 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is YATFEROYQVPGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-9-5-3-4-6-12(9)17(2)20(18,19)10-7-11(14)13(15)16-8-10/h3-8H,1-2H3,(H2,15,16).
What are the key properties of 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide?
6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-chloro-N-methyl-N-(2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 64602647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).