N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide

C12H13BrN4O2S — CID 103306363

IUPACN-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ncccc1Br
InChIInChI=1S/C12H13BrN4O2S/c1-2-14-10-6-4-8-16-12(10)20(18,19)17-11-9(13)5-3-7-15-11/h3-8,14H,2H2,1H3,(H,15,17)
InChIKeyPEBPYBPQBHHGCB-UHFFFAOYSA-N
MW357.23 g/mol
LogP2.47
Rot. Bonds5

About N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide

N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide (PubChem CID 103306363) has the molecular formula C12H13BrN4O2S and a molecular weight of 357.23 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
PubChem CID103306363
Molecular FormulaC12H13BrN4O2S
Molecular Weight357.23 g/mol
Exact Mass355.99
IUPAC NameN-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)Nc1ncccc1Br
InChIInChI=1S/C12H13BrN4O2S/c1-2-14-10-6-4-8-16-12(10)20(18,19)17-11-9(13)5-3-7-15-11/h3-8,14H,2H2,1H3,(H,15,17)
InChIKeyPEBPYBPQBHHGCB-UHFFFAOYSA-N
XLogP2.47
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.23
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303927
N-(5-bromo-4-methyl-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103306497
3-(ethylamino)-N-(2-methylsulfanylphenyl)pyridine-2-sulfonamide
CID 107642917
3-(ethylamino)-N-(6-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303472
N-(2,4-difluorophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304014
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-(4-chloro-2-iodophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 107630627
N-(3-chloro-4-methylphenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303101
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
N-(3-cyanophenyl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103303922

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide (CID 103306363) is N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)Nc1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide?
The InChIKey is PEBPYBPQBHHGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2S/c1-2-14-10-6-4-8-16-12(10)20(18,19)17-11-9(13)5-3-7-15-11/h3-8,14H,2H2,1H3,(H,15,17).
What are the key properties of N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide?
N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide has a molecular weight of 357.23 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-3-(ethylamino)pyridine-2-sulfonamide is sourced from PubChem (CID 103306363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).