N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

C13H13Cl2N3O5S — CID 10309586

IUPACN-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1nc(CO)c(CO)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2N3O5S/c1-23-13-12(16-8(5-19)9(6-20)17-13)18-24(21,22)10-4-2-3-7(14)11(10)15/h2-4,19-20H,5-6H2,1H3,(H,16,18)
InChIKeyLJDABEKXGZUMJD-UHFFFAOYSA-N
MW394.24 g/mol
LogP1.58
Rot. Bonds6

About N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide

N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (PubChem CID 10309586) has the molecular formula C13H13Cl2N3O5S and a molecular weight of 394.24 g/mol. Its IUPAC name is N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
PubChem CID10309586
Molecular FormulaC13H13Cl2N3O5S
Molecular Weight394.24 g/mol
Exact Mass393.00
IUPAC NameN-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
SMILESCOc1nc(CO)c(CO)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C13H13Cl2N3O5S/c1-23-13-12(16-8(5-19)9(6-20)17-13)18-24(21,22)10-4-2-3-7(14)11(10)15/h2-4,19-20H,5-6H2,1H3,(H,16,18)
InChIKeyLJDABEKXGZUMJD-UHFFFAOYSA-N
XLogP1.58
TPSA121.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.24
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The IUPAC name of N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide (CID 10309586) is N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide.
What is the SMILES notation for N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The canonical SMILES for N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is COc1nc(CO)c(CO)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
The InChIKey is LJDABEKXGZUMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O5S/c1-23-13-12(16-8(5-19)9(6-20)17-13)18-24(21,22)10-4-2-3-7(14)11(10)15/h2-4,19-20H,5-6H2,1H3,(H,16,18).
What are the key properties of N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide?
N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide has a molecular weight of 394.24 g/mol, XLogP of 1.58, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide is sourced from PubChem (CID 10309586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).