2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide

C17H18BrN3O4S — CID 53006771

IUPAC2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18BrN3O4S/c18-12-5-7-14(8-6-12)26(24,25)16-9-10-17(23)21(20-16)11-15(22)19-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,19,22)
InChIKeySWXHOWBWKOIMBD-UHFFFAOYSA-N
MW440.32 g/mol
LogP1.90
Rot. Bonds5

About 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide

2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (PubChem CID 53006771) has the molecular formula C17H18BrN3O4S and a molecular weight of 440.32 g/mol. Its IUPAC name is 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
PubChem CID53006771
Molecular FormulaC17H18BrN3O4S
Molecular Weight440.32 g/mol
Exact Mass439.02
IUPAC Name2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NC1CCCC1
InChIInChI=1S/C17H18BrN3O4S/c18-12-5-7-14(8-6-12)26(24,25)16-9-10-17(23)21(20-16)11-15(22)19-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,19,22)
InChIKeySWXHOWBWKOIMBD-UHFFFAOYSA-N
XLogP1.90
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide (CID 53006771) is 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is O=C(Cn1nc(S(=O)(=O)c2ccc(Br)cc2)ccc1=O)NC1CCCC1.
What is the InChIKey of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
The InChIKey is SWXHOWBWKOIMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrN3O4S/c18-12-5-7-14(8-6-12)26(24,25)16-9-10-17(23)21(20-16)11-15(22)19-13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,19,22).
What are the key properties of 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide?
2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide has a molecular weight of 440.32 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-bromophenyl)sulfonyl-6-oxopyridazin-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 53006771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).