2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide

C15H15Cl3N4O4S — CID 10310554

IUPAC2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide
SMILESCOc1nc(N2CCOCC2)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl3N4O4S/c1-25-15-13(19-12(18)14(20-15)22-5-7-26-8-6-22)21-27(23,24)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3,(H,19,21)
InChIKeyDWWLPLYNMAECSJ-UHFFFAOYSA-N
MW453.74 g/mol
LogP3.08
Rot. Bonds5

About 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide

2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide (PubChem CID 10310554) has the molecular formula C15H15Cl3N4O4S and a molecular weight of 453.74 g/mol. Its IUPAC name is 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide
PubChem CID10310554
Molecular FormulaC15H15Cl3N4O4S
Molecular Weight453.74 g/mol
Exact Mass451.99
IUPAC Name2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide
SMILESCOc1nc(N2CCOCC2)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C15H15Cl3N4O4S/c1-25-15-13(19-12(18)14(20-15)22-5-7-26-8-6-22)21-27(23,24)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3,(H,19,21)
InChIKeyDWWLPLYNMAECSJ-UHFFFAOYSA-N
XLogP3.08
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.74
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-dichloro-N-[6-chloro-5-(3-hydroxyazetidin-1-yl)-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 10194939
3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2-carboxylic acid
CID 87284462
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
CID 67139114
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
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
CID 59168221
(2R)-2-amino-3-[3-chloro-5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylpropanoic acid
CID 11179284
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide
CID 10194044
2,3-dichloro-N-[6-chloro-3-methoxy-5-[[(2R)-pyrrolidin-2-yl]methoxy]pyrazin-2-yl]benzenesulfonamide;hydrochloride
CID 86602798
azane;2,3-dichloro-N-[6-chloro-5-[4-(2-hydroxyethyl)phenoxy]-3-methoxypyrazin-2-yl]benzenesulfonamide
CID 87811558
N-[5-[4-(2-amino-2-hydroxyethyl)phenoxy]-6-chloro-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 87811784

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide (CID 10310554) is 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide is COc1nc(N2CCOCC2)c(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide?
The InChIKey is DWWLPLYNMAECSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N4O4S/c1-25-15-13(19-12(18)14(20-15)22-5-7-26-8-6-22)21-27(23,24)10-4-2-3-9(16)11(10)17/h2-4H,5-8H2,1H3,(H,19,21).
What are the key properties of 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide?
2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide has a molecular weight of 453.74 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(6-chloro-3-methoxy-5-morpholin-4-ylpyrazin-2-yl)benzenesulfonamide is sourced from PubChem (CID 10310554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).