3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide

C10H8Cl3N3O3S2 — CID 11257746

IUPAC3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl3N3O3S2/c1-4-3-14-8(9(15-4)19-2)16-21(17,18)10-6(12)5(11)7(13)20-10/h3H,1-2H3,(H,14,16)
InChIKeyRUMCKBTZSGSBKB-UHFFFAOYSA-N
MW388.69 g/mol
LogP3.62
Rot. Bonds4

About 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide

3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide (PubChem CID 11257746) has the molecular formula C10H8Cl3N3O3S2 and a molecular weight of 388.69 g/mol. Its IUPAC name is 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide
PubChem CID11257746
Molecular FormulaC10H8Cl3N3O3S2
Molecular Weight388.69 g/mol
Exact Mass386.91
IUPAC Name3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide
SMILESCOc1nc(C)cnc1NS(=O)(=O)c1sc(Cl)c(Cl)c1Cl
InChIInChI=1S/C10H8Cl3N3O3S2/c1-4-3-14-8(9(15-4)19-2)16-21(17,18)10-6(12)5(11)7(13)20-10/h3H,1-2H3,(H,14,16)
InChIKeyRUMCKBTZSGSBKB-UHFFFAOYSA-N
XLogP3.62
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.69
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-2-sulfanylbenzenesulfonamide
CID 91100992
3-chloro-N-(3-methoxy-5-methylpyrazin-2-yl)-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 87953500
N-(3-methoxy-5-methylpyrazin-2-yl)formamide
CID 91597078
(3-methoxy-5-methylpyrazin-2-yl)hydrazine
CID 135240529
5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide
CID 10193429
2,3-dichloro-N-(3-methoxy-5-methylsulfonylpyrazin-2-yl)benzenesulfonamide
CID 59168213
N-(5-bromo-3-methoxypyrazin-2-yl)-3,5-dichlorobenzenesulfonamide
CID 10309892
2-[3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-4-phenylphenoxy]propanoic acid
CID 139709095
2-[4-(2-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
CID 21186338
4-[2-(1-hydroxy-2-methylpropyl)phenyl]-N-(3-methoxy-5-methylpyrazin-2-yl)pyridine-3-sulfonamide
CID 67557033
3-[(3-methoxy-5-methylpyrazin-2-yl)sulfamoyl]-N-methyl-2-[4-(2-methylpropyl)phenyl]benzamide
CID 11754394
tert-butyl N-(3-methoxy-5-methylpyrazin-2-yl)carbamate
CID 141287875

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide (CID 11257746) is 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide is COc1nc(C)cnc1NS(=O)(=O)c1sc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide?
The InChIKey is RUMCKBTZSGSBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N3O3S2/c1-4-3-14-8(9(15-4)19-2)16-21(17,18)10-6(12)5(11)7(13)20-10/h3H,1-2H3,(H,14,16).
What are the key properties of 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide?
3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide has a molecular weight of 388.69 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloro-N-(3-methoxy-5-methylpyrazin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 11257746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).