N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide

C13H14BrN3O2S — CID 103303927

IUPACN-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-2-15-12-8-5-9-16-13(12)20(18,19)17-11-7-4-3-6-10(11)14/h3-9,15,17H,2H2,1H3
InChIKeyNOHMJGCCGXVJPL-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.08
Rot. Bonds5

About N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide

N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 103303927) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID103303927
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC NameN-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ccccc1Br
InChIInChI=1S/C13H14BrN3O2S/c1-2-15-12-8-5-9-16-13(12)20(18,19)17-11-7-4-3-6-10(11)14/h3-9,15,17H,2H2,1H3
InChIKeyNOHMJGCCGXVJPL-UHFFFAOYSA-N
XLogP3.08
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306363
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
CID 107642917
N-(5-bromo-4-methyl-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306497
N-(2,4-difluorophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304014
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472
N-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 107630627
3-(propylamino)-N-pyridin-2-ylpyridine-2-sulfonamide
CID 103303743
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304698
N-cyclopropyl-3-(ethylamino)pyridine-2-sulfonamide
CID 103303691
3-(propylamino)-N-pyrimidin-2-ylpyridine-2-sulfonamide
CID 103303452
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide (CID 103303927) is N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is NOHMJGCCGXVJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-2-15-12-8-5-9-16-13(12)20(18,19)17-11-7-4-3-6-10(11)14/h3-9,15,17H,2H2,1H3.
What are the key properties of N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide?
N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103303927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).