2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide

C10H7Cl3N4O3S — CID 11222445

IUPAC2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
SMILESCOc1nnc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H7Cl3N4O3S/c1-20-9-8(14-10(13)16-15-9)17-21(18,19)6-4-2-3-5(11)7(6)12/h2-4H,1H3,(H,14,16,17)
InChIKeyVHAXSASFQSEBLW-UHFFFAOYSA-N
MW369.62 g/mol
LogP2.64
Rot. Bonds4

About 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide

2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide (PubChem CID 11222445) has the molecular formula C10H7Cl3N4O3S and a molecular weight of 369.62 g/mol. Its IUPAC name is 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
PubChem CID11222445
Molecular FormulaC10H7Cl3N4O3S
Molecular Weight369.62 g/mol
Exact Mass367.93
IUPAC Name2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide
SMILESCOc1nnc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C10H7Cl3N4O3S/c1-20-9-8(14-10(13)16-15-9)17-21(18,19)6-4-2-3-5(11)7(6)12/h2-4H,1H3,(H,14,16,17)
InChIKeyVHAXSASFQSEBLW-UHFFFAOYSA-N
XLogP2.64
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5,6-bis(hydroxymethyl)-3-methoxypyrazin-2-yl]-2,3-dichlorobenzenesulfonamide
CID 10309586
5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazine-2,3-dicarboxylic acid
CID 67139114
N-(5-bromo-3-methoxy-6-methylpyrazin-2-yl)-2,3-dichlorobenzenesulfonamide
CID 59168221
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
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
2,3-dichloro-N-(5-chloro-2-methoxy-6-oxo-1H-pyrazin-3-yl)benzenesulfonamide
CID 10194044
2-[5-[(2,3-dichlorophenyl)sulfonylamino]-6-methoxypyrazin-2-yl]sulfanylacetamide
CID 59168102
2,3-dichloro-N-(3-chloropyrazin-2-yl)benzenesulfonamide
CID 59168167
(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 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide (CID 11222445) is 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide is COc1nnc(Cl)nc1NS(=O)(=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide?
The InChIKey is VHAXSASFQSEBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3N4O3S/c1-20-9-8(14-10(13)16-15-9)17-21(18,19)6-4-2-3-5(11)7(6)12/h2-4H,1H3,(H,14,16,17).
What are the key properties of 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide?
2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide has a molecular weight of 369.62 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(3-chloro-6-methoxy-1,2,4-triazin-5-yl)benzenesulfonamide is sourced from PubChem (CID 11222445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).