N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide

C14H16BrN3O2S — CID 62164228

IUPACN-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cn1
InChIInChI=1S/C14H16BrN3O2S/c1-3-16-14-7-5-11(9-17-14)21(19,20)18-13-6-4-10(2)8-12(13)15/h4-9,18H,3H2,1-2H3,(H,16,17)
InChIKeyXJHOFQATJQBERN-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.39
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide

N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide (PubChem CID 62164228) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
PubChem CID62164228
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC NameN-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cn1
InChIInChI=1S/C14H16BrN3O2S/c1-3-16-14-7-5-11(9-17-14)21(19,20)18-13-6-4-10(2)8-12(13)15/h4-9,18H,3H2,1-2H3,(H,16,17)
InChIKeyXJHOFQATJQBERN-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-methylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62164386
6-(ethylamino)-N-(2-methylphenyl)pyridine-3-sulfonamide
CID 62143880
6-(ethylamino)-N-(2-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 79043938
N-(4-chloro-2-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62153150
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
N-(3-bromo-4-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 104781528
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-3-sulfonamide
CID 62164065
N-(2-bromo-5-methylphenyl)-4-(ethylamino)benzenesulfonamide
CID 82750328
N-(5-bromo-1,3-thiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62147032
N-(2,5-dimethylpyrazol-3-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62145254
N-(2-chloro-5-fluorophenyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 107531127
N-(2-bromo-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 845073

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide (CID 62164228) is N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)Nc2ccc(C)cc2Br)cn1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide?
The InChIKey is XJHOFQATJQBERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-3-16-14-7-5-11(9-17-14)21(19,20)18-13-6-4-10(2)8-12(13)15/h4-9,18H,3H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-(ethylamino)pyridine-3-sulfonamide?
N-(2-bromo-4-methylphenyl)-6-(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)-6-(ethylamino)pyridine-3-sulfonamide is sourced from PubChem (CID 62164228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).