2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide

C14H16BrN3O3S — CID 22515945

IUPAC2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H16BrN3O3S/c1-3-18(11-4-6-12(21-2)7-5-11)22(19,20)13-8-10(15)9-17-14(13)16/h4-9H,3H2,1-2H3,(H2,16,17)
InChIKeyQDKWKCVAGTZYEM-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.65
Rot. Bonds5

About 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide (PubChem CID 22515945) has the molecular formula C14H16BrN3O3S and a molecular weight of 386.27 g/mol. Its IUPAC name is 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide
PubChem CID22515945
Molecular FormulaC14H16BrN3O3S
Molecular Weight386.27 g/mol
Exact Mass385.01
IUPAC Name2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide
SMILESCCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C14H16BrN3O3S/c1-3-18(11-4-6-12(21-2)7-5-11)22(19,20)13-8-10(15)9-17-14(13)16/h4-9H,3H2,1-2H3,(H2,16,17)
InChIKeyQDKWKCVAGTZYEM-UHFFFAOYSA-N
XLogP2.65
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide (CID 22515945) is 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide is CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
The InChIKey is QDKWKCVAGTZYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3S/c1-3-18(11-4-6-12(21-2)7-5-11)22(19,20)13-8-10(15)9-17-14(13)16/h4-9H,3H2,1-2H3,(H2,16,17).
What are the key properties of 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide has a molecular weight of 386.27 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-ethyl-N-(4-methoxyphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 22515945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).