2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide

C10H11BrN4O2S — CID 115119268

IUPAC2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H11BrN4O2S/c11-8-3-9(10(12)14-6-8)18(16,17)15-5-7-1-2-13-4-7/h1-4,6,13,15H,5H2,(H2,12,14)
InChIKeyPRWXOFXICLDJNL-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.23
Rot. Bonds4

About 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide

2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide (PubChem CID 115119268) has the molecular formula C10H11BrN4O2S and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
PubChem CID115119268
Molecular FormulaC10H11BrN4O2S
Molecular Weight331.20 g/mol
Exact Mass329.98
IUPAC Name2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide
SMILESNc1ncc(Br)cc1S(=O)(=O)NCc1cc[nH]c1
InChIInChI=1S/C10H11BrN4O2S/c11-8-3-9(10(12)14-6-8)18(16,17)15-5-7-1-2-13-4-7/h1-4,6,13,15H,5H2,(H2,12,14)
InChIKeyPRWXOFXICLDJNL-UHFFFAOYSA-N
XLogP1.23
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide (CID 115119268) is 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide is Nc1ncc(Br)cc1S(=O)(=O)NCc1cc[nH]c1.
What is the InChIKey of 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide?
The InChIKey is PRWXOFXICLDJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O2S/c11-8-3-9(10(12)14-6-8)18(16,17)15-5-7-1-2-13-4-7/h1-4,6,13,15H,5H2,(H2,12,14).
What are the key properties of 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide?
2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide has a molecular weight of 331.20 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-N-(1H-pyrrol-3-ylmethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 115119268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).