2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide

C9H15BrN4O2S — CID 106334310

IUPAC2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncc(Br)cc1N
InChIInChI=1S/C9H15BrN4O2S/c1-2-14-17(15,16)4-3-12-9-8(11)5-7(10)6-13-9/h5-6,14H,2-4,11H2,1H3,(H,12,13)
InChIKeyUSLGHQOUTPVADT-UHFFFAOYSA-N
MW323.22 g/mol
LogP0.78
Rot. Bonds6

About 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide

2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide (PubChem CID 106334310) has the molecular formula C9H15BrN4O2S and a molecular weight of 323.22 g/mol. Its IUPAC name is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide.

Molecular Properties

Compound Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
PubChem CID106334310
Molecular FormulaC9H15BrN4O2S
Molecular Weight323.22 g/mol
Exact Mass322.01
IUPAC Name2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide
SMILESCCNS(=O)(=O)CCNc1ncc(Br)cc1N
InChIInChI=1S/C9H15BrN4O2S/c1-2-14-17(15,16)4-3-12-9-8(11)5-7(10)6-13-9/h5-6,14H,2-4,11H2,1H3,(H,12,13)
InChIKeyUSLGHQOUTPVADT-UHFFFAOYSA-N
XLogP0.78
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.22
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-amino-5-bromo-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106334551
N-[2-[(3-amino-5-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61228086
2-[(5-bromo-3-methyl-2-pyridinyl)amino]-N-methylethanesulfonamide
CID 106337679
2-[[5-bromo-6-(ethylamino)pyrimidin-4-yl]amino]-N-ethylethanesulfonamide
CID 106343306
ethyl 5-amino-2-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylate
CID 106341952
2-(4-amino-2-bromo-5-methylanilino)-N-ethylethanesulfonamide
CID 114174899
5-bromo-2-N-(2-methylbutan-2-yl)pyridine-2,3-diamine
CID 61229242
5-bromo-2-N-(2,2-dimethylbutyl)pyridine-2,3-diamine
CID 103460153
4-[(3-amino-5-bromo-2-pyridinyl)amino]butan-2-ol
CID 64926877
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
5-bromo-2-N-(3,3,3-trifluoropropyl)pyridine-2,3-diamine
CID 63225930
5-chloro-6-[2-(ethylsulfamoyl)ethylamino]pyridine-3-carboxylic acid
CID 106339921

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The IUPAC name of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide (CID 106334310) is 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide.
What is the SMILES notation for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The canonical SMILES for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide is CCNS(=O)(=O)CCNc1ncc(Br)cc1N.
What is the InChIKey of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide?
The InChIKey is USLGHQOUTPVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O2S/c1-2-14-17(15,16)4-3-12-9-8(11)5-7(10)6-13-9/h5-6,14H,2-4,11H2,1H3,(H,12,13).
What are the key properties of 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide?
2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide has a molecular weight of 323.22 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-5-bromo-2-pyridinyl)amino]-N-ethylethanesulfonamide is sourced from PubChem (CID 106334310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).