N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C15H12BrN3O3S2 — CID 20939844

IUPACN-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3)s2)n[nH]1
InChIInChI=1S/C15H12BrN3O3S2/c16-11-3-1-2-10(8-11)9-17-24(21,22)15-7-5-13(23-15)12-4-6-14(20)19-18-12/h1-8,17H,9H2,(H,19,20)
InChIKeyGWNYFKPXWIQKJQ-UHFFFAOYSA-N
MW426.32 g/mol
LogP2.74
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 20939844) has the molecular formula C15H12BrN3O3S2 and a molecular weight of 426.32 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID20939844
Molecular FormulaC15H12BrN3O3S2
Molecular Weight426.32 g/mol
Exact Mass424.95
IUPAC NameN-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3)s2)n[nH]1
InChIInChI=1S/C15H12BrN3O3S2/c16-11-3-1-2-10(8-11)9-17-24(21,22)15-7-5-13(23-15)12-4-6-14(20)19-18-12/h1-8,17H,9H2,(H,19,20)
InChIKeyGWNYFKPXWIQKJQ-UHFFFAOYSA-N
XLogP2.74
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.32
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 20939844) is N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NCc3cccc(Br)c3)s2)n[nH]1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is GWNYFKPXWIQKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S2/c16-11-3-1-2-10(8-11)9-17-24(21,22)15-7-5-13(23-15)12-4-6-14(20)19-18-12/h1-8,17H,9H2,(H,19,20).
What are the key properties of N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 426.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 20939844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).