N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide

C14H16BrN3O2S — CID 62164065

IUPACN-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H16BrN3O2S/c1-3-16-14-13(5-4-8-17-14)21(19,20)18-12-7-6-10(2)9-11(12)15/h4-9,18H,3H2,1-2H3,(H,16,17)
InChIKeyDFGNMAVNWDZYSY-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.39
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide

N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62164065) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
PubChem CID62164065
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC NameN-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ncccc1S(=O)(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C14H16BrN3O2S/c1-3-16-14-13(5-4-8-17-14)21(19,20)18-12-7-6-10(2)9-11(12)15/h4-9,18H,3H2,1-2H3,(H,16,17)
InChIKeyDFGNMAVNWDZYSY-UHFFFAOYSA-N
XLogP3.39
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-chlorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 81280535
N-(4-bromo-2-fluorophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62148877
2-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043589
N-(2-bromo-4-methylphenyl)quinoline-8-sulfonamide
CID 4197183
3-[(2-bromo-4-methylphenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596311
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62164386
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62162278
N-(2-bromo-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 60560655
N-(4-chloro-2-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107630667
N-(2-chloro-4-iodophenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 107606006
N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164228
N-(2-fluoro-5-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 62143202

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide (CID 62164065) is N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide is CCNc1ncccc1S(=O)(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is DFGNMAVNWDZYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-3-16-14-13(5-4-8-17-14)21(19,20)18-12-7-6-10(2)9-11(12)15/h4-9,18H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide?
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide has a molecular weight of 370.27 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62164065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).