2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide

C15H18BrN3O3S — CID 6623892

IUPAC2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide
SMILESCCCN(c1ccccc1OC)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H18BrN3O3S/c1-3-8-19(12-6-4-5-7-13(12)22-2)23(20,21)14-9-11(16)10-18-15(14)17/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18)
InChIKeyVEEQCXPQMQKRET-UHFFFAOYSA-N
MW400.30 g/mol
LogP3.04
Rot. Bonds6

About 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide

2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide (PubChem CID 6623892) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide
PubChem CID6623892
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC Name2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide
SMILESCCCN(c1ccccc1OC)S(=O)(=O)c1cc(Br)cnc1N
InChIInChI=1S/C15H18BrN3O3S/c1-3-8-19(12-6-4-5-7-13(12)22-2)23(20,21)14-9-11(16)10-18-15(14)17/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18)
InChIKeyVEEQCXPQMQKRET-UHFFFAOYSA-N
XLogP3.04
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 53.04
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-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide (CID 6623892) is 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide is CCCN(c1ccccc1OC)S(=O)(=O)c1cc(Br)cnc1N.
What is the InChIKey of 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide?
The InChIKey is VEEQCXPQMQKRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c1-3-8-19(12-6-4-5-7-13(12)22-2)23(20,21)14-9-11(16)10-18-15(14)17/h4-7,9-10H,3,8H2,1-2H3,(H2,17,18).
What are the key properties of 2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide?
2-amino-5-bromo-N-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide has a molecular weight of 400.30 g/mol, XLogP of 3.04, 6 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-(2-methoxyphenyl)-N-propylpyridine-3-sulfonamide is sourced from PubChem (CID 6623892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).