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

C13H14BrN3O2S — CID 65479645

IUPAC4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(CBr)cc2)cn1
InChIInChI=1S/C13H14BrN3O2S/c1-10-7-16-12(8-15-10)9-17-20(18,19)13-4-2-11(6-14)3-5-13/h2-5,7-8,17H,6,9H2,1H3
InChIKeyDPISMWGJMZDHIL-UHFFFAOYSA-N
MW356.25 g/mol
LogP2.16
Rot. Bonds5

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

4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (PubChem CID 65479645) has the molecular formula C13H14BrN3O2S and a molecular weight of 356.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
PubChem CID65479645
Molecular FormulaC13H14BrN3O2S
Molecular Weight356.25 g/mol
Exact Mass355.00
IUPAC Name4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
SMILESCc1cnc(CNS(=O)(=O)c2ccc(CBr)cc2)cn1
InChIInChI=1S/C13H14BrN3O2S/c1-10-7-16-12(8-15-10)9-17-20(18,19)13-4-2-11(6-14)3-5-13/h2-5,7-8,17H,6,9H2,1H3
InChIKeyDPISMWGJMZDHIL-UHFFFAOYSA-N
XLogP2.16
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 3829331
4-(bromomethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 65481025
2-(methylamino)-N-[(5-methylpyrazin-2-yl)methyl]pyridine-4-sulfonamide
CID 62840002
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
4-(bromomethyl)-N-[(4-ethylphenyl)methyl]benzenesulfonamide
CID 106900636
2,4-dibromo-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62839999
4-(bromomethyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 106041696
2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62847397
4-(bromomethyl)-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 65481426
2-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 62846126
4-(bromomethyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 57017783
4-cyano-2-methyl-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide
CID 106997265

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide (CID 65479645) is 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is Cc1cnc(CNS(=O)(=O)c2ccc(CBr)cc2)cn1.
What is the InChIKey of 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
The InChIKey is DPISMWGJMZDHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2S/c1-10-7-16-12(8-15-10)9-17-20(18,19)13-4-2-11(6-14)3-5-13/h2-5,7-8,17H,6,9H2,1H3.
What are the key properties of 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide?
4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide has a molecular weight of 356.25 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(5-methylpyrazin-2-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 65479645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).