N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide

C9H8BrN3O2S — CID 115273979

IUPACN-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)c1ccc[nH]1
InChIInChI=1S/C9H8BrN3O2S/c10-7-3-4-8(12-6-7)13-16(14,15)9-2-1-5-11-9/h1-6,11H,(H,12,13)
InChIKeyXPCIVNHKXAWUHK-UHFFFAOYSA-N
MW302.15 g/mol
LogP1.97
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide

N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide (PubChem CID 115273979) has the molecular formula C9H8BrN3O2S and a molecular weight of 302.15 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide
PubChem CID115273979
Molecular FormulaC9H8BrN3O2S
Molecular Weight302.15 g/mol
Exact Mass300.95
IUPAC NameN-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(Br)cn1)c1ccc[nH]1
InChIInChI=1S/C9H8BrN3O2S/c10-7-3-4-8(12-6-7)13-16(14,15)9-2-1-5-11-9/h1-6,11H,(H,12,13)
InChIKeyXPCIVNHKXAWUHK-UHFFFAOYSA-N
XLogP1.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.15
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide (CID 115273979) is N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide is O=S(=O)(Nc1ccc(Br)cn1)c1ccc[nH]1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide?
The InChIKey is XPCIVNHKXAWUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2S/c10-7-3-4-8(12-6-7)13-16(14,15)9-2-1-5-11-9/h1-6,11H,(H,12,13).
What are the key properties of N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide?
N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide has a molecular weight of 302.15 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1H-pyrrole-2-sulfonamide is sourced from PubChem (CID 115273979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).