4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide

C11H9BrClN3O2S — CID 103580611

IUPAC4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnc(Cl)cn2)ccc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-4-8(2-3-9(7)12)19(17,18)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeyDFCAWAMQRSWRGS-UHFFFAOYSA-N
MW362.64 g/mol
LogP3.00
Rot. Bonds3

About 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide

4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide (PubChem CID 103580611) has the molecular formula C11H9BrClN3O2S and a molecular weight of 362.64 g/mol. Its IUPAC name is 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
PubChem CID103580611
Molecular FormulaC11H9BrClN3O2S
Molecular Weight362.64 g/mol
Exact Mass360.93
IUPAC Name4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2cnc(Cl)cn2)ccc1Br
InChIInChI=1S/C11H9BrClN3O2S/c1-7-4-8(2-3-9(7)12)19(17,18)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H,15,16)
InChIKeyDFCAWAMQRSWRGS-UHFFFAOYSA-N
XLogP3.00
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.64
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
N-(5-bromo-4-methyl-2-pyridinyl)-2-chloropyridine-4-sulfonamide
CID 79734611
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
4-bromo-N-(3-chloro-2-pyridinyl)-3-methylbenzenesulfonamide
CID 103943858
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-3-methylbenzenesulfonamide
CID 112699826
4-bromo-N-(2,6-dichloro-4-fluorophenyl)-3-methylbenzenesulfonamide
CID 83078624
4-bromo-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 113237166
N-(5-chloropyrazin-2-yl)-4-(2-methylpropyl)benzenesulfonamide
CID 103278267
N-(5-bromo-6-methyl-2-pyridinyl)-6-chloropyridine-3-sulfonamide
CID 79048643
3-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-4-chlorobenzenesulfonamide
CID 106070860
2-chloro-N-(5-chloropyrazin-2-yl)-4-methylbenzenesulfonamide
CID 103278221
N-(5-chloropyrazin-2-yl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 103580637

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide (CID 103580611) is 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2cnc(Cl)cn2)ccc1Br.
What is the InChIKey of 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide?
The InChIKey is DFCAWAMQRSWRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3O2S/c1-7-4-8(2-3-9(7)12)19(17,18)16-11-6-14-10(13)5-15-11/h2-6H,1H3,(H,15,16).
What are the key properties of 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide?
4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide has a molecular weight of 362.64 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-chloropyrazin-2-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 103580611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).