5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide

C11H12ClN3O3S2 — CID 10193429

IUPAC5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide
SMILESCOc1nc(C)c(C)nc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3O3S2/c1-6-7(2)14-11(18-3)10(13-6)15-20(16,17)9-5-4-8(12)19-9/h4-5H,1-3H3,(H,13,15)
InChIKeyXUNIZEQPRYPTAL-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.62
Rot. Bonds4

About 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide

5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide (PubChem CID 10193429) has the molecular formula C11H12ClN3O3S2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide
PubChem CID10193429
Molecular FormulaC11H12ClN3O3S2
Molecular Weight333.82 g/mol
Exact Mass333.00
IUPAC Name5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide
SMILESCOc1nc(C)c(C)nc1NS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3O3S2/c1-6-7(2)14-11(18-3)10(13-6)15-20(16,17)9-5-4-8(12)19-9/h4-5H,1-3H3,(H,13,15)
InChIKeyXUNIZEQPRYPTAL-UHFFFAOYSA-N
XLogP2.62
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide (CID 10193429) is 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide is COc1nc(C)c(C)nc1NS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide?
The InChIKey is XUNIZEQPRYPTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O3S2/c1-6-7(2)14-11(18-3)10(13-6)15-20(16,17)9-5-4-8(12)19-9/h4-5H,1-3H3,(H,13,15).
What are the key properties of 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide?
5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide has a molecular weight of 333.82 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-5,6-dimethylpyrazin-2-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 10193429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).