3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

C8H8BrN3O2S2 — CID 55259447

IUPAC3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2sccc2Br)n[nH]1
InChIInChI=1S/C8H8BrN3O2S2/c1-5-4-7(11-10-5)12-16(13,14)8-6(9)2-3-15-8/h2-4H,1H3,(H2,10,11,12)
InChIKeyLNILAUPHGPIXKA-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.34
Rot. Bonds3

About 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide

3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (PubChem CID 55259447) has the molecular formula C8H8BrN3O2S2 and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
PubChem CID55259447
Molecular FormulaC8H8BrN3O2S2
Molecular Weight322.21 g/mol
Exact Mass320.92
IUPAC Name3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2sccc2Br)n[nH]1
InChIInChI=1S/C8H8BrN3O2S2/c1-5-4-7(11-10-5)12-16(13,14)8-6(9)2-3-15-8/h2-4H,1H3,(H2,10,11,12)
InChIKeyLNILAUPHGPIXKA-UHFFFAOYSA-N
XLogP2.34
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The IUPAC name of 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide (CID 55259447) is 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is Cc1cc(NS(=O)(=O)c2sccc2Br)n[nH]1.
What is the InChIKey of 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
The InChIKey is LNILAUPHGPIXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O2S2/c1-5-4-7(11-10-5)12-16(13,14)8-6(9)2-3-15-8/h2-4H,1H3,(H2,10,11,12).
What are the key properties of 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide?
3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide has a molecular weight of 322.21 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-methyl-1H-pyrazol-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 55259447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).