2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide

C9H8BrN3O2S2 — CID 115119280

IUPAC2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)Nc1cc(Br)cs1
InChIInChI=1S/C9H8BrN3O2S2/c10-6-4-8(16-5-6)13-17(14,15)7-2-1-3-12-9(7)11/h1-5,13H,(H2,11,12)
InChIKeyYXMIZGAYZVGYDA-UHFFFAOYSA-N
MW334.22 g/mol
LogP2.29
Rot. Bonds3

About 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide

2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide (PubChem CID 115119280) has the molecular formula C9H8BrN3O2S2 and a molecular weight of 334.22 g/mol. Its IUPAC name is 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide
PubChem CID115119280
Molecular FormulaC9H8BrN3O2S2
Molecular Weight334.22 g/mol
Exact Mass332.92
IUPAC Name2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide
SMILESNc1ncccc1S(=O)(=O)Nc1cc(Br)cs1
InChIInChI=1S/C9H8BrN3O2S2/c10-6-4-8(16-5-6)13-17(14,15)7-2-1-3-12-9(7)11/h1-5,13H,(H2,11,12)
InChIKeyYXMIZGAYZVGYDA-UHFFFAOYSA-N
XLogP2.29
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide (CID 115119280) is 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide is Nc1ncccc1S(=O)(=O)Nc1cc(Br)cs1.
What is the InChIKey of 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide?
The InChIKey is YXMIZGAYZVGYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S2/c10-6-4-8(16-5-6)13-17(14,15)7-2-1-3-12-9(7)11/h1-5,13H,(H2,11,12).
What are the key properties of 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide?
2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide has a molecular weight of 334.22 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromothiophen-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115119280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).