2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide

C11H13BrN4O3S — CID 104889969

IUPAC2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(Br)cnc2N)o1
InChIInChI=1S/C11H13BrN4O3S/c1-2-8-5-14-10(19-8)6-16-20(17,18)9-3-7(12)4-15-11(9)13/h3-5,16H,2,6H2,1H3,(H2,13,15)
InChIKeyTZGFSLVTXNRRID-UHFFFAOYSA-N
MW361.22 g/mol
LogP1.46
Rot. Bonds5

About 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide

2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide (PubChem CID 104889969) has the molecular formula C11H13BrN4O3S and a molecular weight of 361.22 g/mol. Its IUPAC name is 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
PubChem CID104889969
Molecular FormulaC11H13BrN4O3S
Molecular Weight361.22 g/mol
Exact Mass359.99
IUPAC Name2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide
SMILESCCc1cnc(CNS(=O)(=O)c2cc(Br)cnc2N)o1
InChIInChI=1S/C11H13BrN4O3S/c1-2-8-5-14-10(19-8)6-16-20(17,18)9-3-7(12)4-15-11(9)13/h3-5,16H,2,6H2,1H3,(H2,13,15)
InChIKeyTZGFSLVTXNRRID-UHFFFAOYSA-N
XLogP1.46
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide with MolForge

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Launch Full Analysis

Related Compounds

5-amino-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369008
5-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106369002
4-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106543915
5-(aminomethyl)-2-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106377999
2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368938
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-fluorobenzenesulfonamide
CID 106368906
5-bromo-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-2,3-diamine
CID 106369478
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
2-amino-5-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]pyridine-3-sulfonamide
CID 65245319
3-amino-2,4-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368958
4-amino-2-cyano-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 106368933
3-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
CID 106368937

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide (CID 104889969) is 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide is CCc1cnc(CNS(=O)(=O)c2cc(Br)cnc2N)o1.
What is the InChIKey of 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
The InChIKey is TZGFSLVTXNRRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O3S/c1-2-8-5-14-10(19-8)6-16-20(17,18)9-3-7(12)4-15-11(9)13/h3-5,16H,2,6H2,1H3,(H2,13,15).
What are the key properties of 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide?
2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide has a molecular weight of 361.22 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3-sulfonamide is sourced from PubChem (CID 104889969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).