2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

C12H11Br2N3O2S — CID 62839999

IUPAC2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H11Br2N3O2S/c1-8-5-16-10(6-15-8)7-17-20(18,19)12-3-2-9(13)4-11(12)14/h2-6,17H,7H2,1H3
InChIKeyLFDQSEUBBVNQGO-UHFFFAOYSA-N
MW421.11 g/mol
LogP2.79
Rot. Bonds4

About 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide

2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 62839999) has the molecular formula C12H11Br2N3O2S and a molecular weight of 421.11 g/mol. Its IUPAC name is 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID62839999
Molecular FormulaC12H11Br2N3O2S
Molecular Weight421.11 g/mol
Exact Mass418.89
IUPAC Name2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(Br)cc2Br)cn1
InChIInChI=1S/C12H11Br2N3O2S/c1-8-5-16-10(6-15-8)7-17-20(18,19)12-3-2-9(13)4-11(12)14/h2-6,17H,7H2,1H3
InChIKeyLFDQSEUBBVNQGO-UHFFFAOYSA-N
XLogP2.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.11
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 106997265
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 114019978
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 65479645
3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
2-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-sulfonamide
CID 62848316
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
2,4-dibromo-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107232776
2,4-dibromo-N-[(4-bromothiophen-2-yl)methyl]benzenesulfonamide
CID 47319560
4-bromo-2-[(5-methylpyrazin-2-yl)methylamino]benzoic acid
CID 114907355

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (CID 62839999) is 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(Br)cc2Br)cn1.
What is the InChIKey of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is LFDQSEUBBVNQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2S/c1-8-5-16-10(6-15-8)7-17-20(18,19)12-3-2-9(13)4-11(12)14/h2-6,17H,7H2,1H3.
What are the key properties of 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 421.11 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 62839999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).