5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide

C8H8BrN3O2S2 — CID 4767431

IUPAC5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C8H8BrN3O2S2/c1-12-5-4-7(10-12)11-16(13,14)8-3-2-6(9)15-8/h2-5H,1H3,(H,10,11)
InChIKeyZPRYJGXIFJGAGL-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.04
Rot. Bonds3

About 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide

5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 4767431) has the molecular formula C8H8BrN3O2S2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID4767431
Molecular FormulaC8H8BrN3O2S2
Molecular Weight322.21 g/mol
Exact Mass320.92
IUPAC Name5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide
SMILESCn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1
InChIInChI=1S/C8H8BrN3O2S2/c1-12-5-4-7(10-12)11-16(13,14)8-3-2-6(9)15-8/h2-5H,1H3,(H,10,11)
InChIKeyZPRYJGXIFJGAGL-UHFFFAOYSA-N
XLogP2.04
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide (CID 4767431) is 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide is Cn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1.
What is the InChIKey of 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is ZPRYJGXIFJGAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S2/c1-12-5-4-7(10-12)11-16(13,14)8-3-2-6(9)15-8/h2-5H,1H3,(H,10,11).
What are the key properties of 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide?
5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 322.21 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-methylpyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 4767431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).