N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide

C12H10BrCl2N3O3S — CID 59168221

IUPACN-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
SMILESCOc1nc(Br)c(C)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10BrCl2N3O3S/c1-6-10(13)17-12(21-2)11(16-6)18-22(19,20)8-5-3-4-7(14)9(8)15/h3-5H,1-2H3,(H,16,18)
InChIKeyIOHRVNDGUWQYRB-UHFFFAOYSA-N
MW427.11 g/mol
LogP3.66
Rot. Bonds4

About N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide

N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide (PubChem CID 59168221) has the molecular formula C12H10BrCl2N3O3S and a molecular weight of 427.11 g/mol. Its IUPAC name is N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
PubChem CID59168221
Molecular FormulaC12H10BrCl2N3O3S
Molecular Weight427.11 g/mol
Exact Mass424.90
IUPAC NameN-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
SMILESCOc1nc(Br)c(C)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C12H10BrCl2N3O3S/c1-6-10(13)17-12(21-2)11(16-6)18-22(19,20)8-5-3-4-7(14)9(8)15/h3-5H,1-2H3,(H,16,18)
InChIKeyIOHRVNDGUWQYRB-UHFFFAOYSA-N
XLogP3.66
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.11
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10309586
2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
CID 11222445
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
CID 67139114
3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
CID 87284462
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
methyl (2R)-2-amino-3-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxy-3-methylpyrazin-2-yl]sulfanylpropanoate
CID 11431599
azane;2,3-dichloro-N-[6-chloro-5-[4-(2-hydroxyethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 87811558
2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide
CID 10310554
2,3-dichloro-N-[6-chloro-5-(3-hydroxyazetidin-1-yl)-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 10194939
3-chloro-N-(6-chloro-3-methoxypyrazin-2-yl)-2-methylbenzenesulfonamide
CID 10150058
N-[5-[4-(2-amino-2-hydroxyethyl)phenoxy]-6-chloro-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 87811784
(2R)-2-amino-3-[3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylpropanoic acid
CID 11179284

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide (CID 59168221) is N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide is COc1nc(Br)c(C)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide?
The InChIKey is IOHRVNDGUWQYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O3S/c1-6-10(13)17-12(21-2)11(16-6)18-22(19,20)8-5-3-4-7(14)9(8)15/h3-5H,1-2H3,(H,16,18).
What are the key properties of N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide?
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide has a molecular weight of 427.11 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 59168221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).