5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide

C10H10BrN3O2S2 — CID 106833688

IUPAC5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C10H10BrN3O2S2/c1-7-9(5-10(11)17-7)18(15,16)13-6-8-3-2-4-12-14-8/h2-5,13H,6H2,1H3
InChIKeyGXZABYYHDNKDSA-UHFFFAOYSA-N
MW348.25 g/mol
LogP2.09
Rot. Bonds4

About 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide

5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide (PubChem CID 106833688) has the molecular formula C10H10BrN3O2S2 and a molecular weight of 348.25 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
PubChem CID106833688
Molecular FormulaC10H10BrN3O2S2
Molecular Weight348.25 g/mol
Exact Mass346.94
IUPAC Name5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide
SMILESCc1sc(Br)cc1S(=O)(=O)NCc1cccnn1
InChIInChI=1S/C10H10BrN3O2S2/c1-7-9(5-10(11)17-7)18(15,16)13-6-8-3-2-4-12-14-8/h2-5,13H,6H2,1H3
InChIKeyGXZABYYHDNKDSA-UHFFFAOYSA-N
XLogP2.09
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.25
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dibromo-4-methyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833668
5-bromo-4-(pyridazin-3-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 106831690
2-amino-4,5-dimethyl-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894665
5-bromo-N-[(2-hydroxyphenyl)methyl]-2-methylthiophene-3-sulfonamide
CID 115753828
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106089507
5-bromo-N-[[4-(bromomethyl)phenyl]methyl]-2-methylthiophene-3-sulfonamide
CID 107233929
5-amino-3-bromo-2-fluoro-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894675
4-amino-2,6-dibromo-N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106894707
2-chloro-4-methyl-N-(pyridazin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 106833703
3-methyl-4-(pyridazin-3-ylmethylsulfamoyl)benzenecarbothioamide
CID 106998653
N-(pyridazin-3-ylmethyl)benzenesulfonamide
CID 106833682

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide (CID 106833688) is 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide is Cc1sc(Br)cc1S(=O)(=O)NCc1cccnn1.
What is the InChIKey of 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide?
The InChIKey is GXZABYYHDNKDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2S2/c1-7-9(5-10(11)17-7)18(15,16)13-6-8-3-2-4-12-14-8/h2-5,13H,6H2,1H3.
What are the key properties of 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide?
5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide has a molecular weight of 348.25 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(pyridazin-3-ylmethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 106833688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).