1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

C13H14N4O3S2 — CID 6471069

IUPAC1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cn1
InChIInChI=1S/C13H14N4O3S2/c1-3-17-8-10(7-14-17)22(18,19)16-13-15-11-5-4-9(20-2)6-12(11)21-13/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyZZVFQPMAZJVPGG-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.32
Rot. Bonds5

About 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide

1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide (PubChem CID 6471069) has the molecular formula C13H14N4O3S2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
PubChem CID6471069
Molecular FormulaC13H14N4O3S2
Molecular Weight338.41 g/mol
Exact Mass338.05
IUPAC Name1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cn1
InChIInChI=1S/C13H14N4O3S2/c1-3-17-8-10(7-14-17)22(18,19)16-13-15-11-5-4-9(20-2)6-12(11)21-13/h4-8H,3H2,1-2H3,(H,15,16)
InChIKeyZZVFQPMAZJVPGG-UHFFFAOYSA-N
XLogP2.32
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide (CID 6471069) is 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cn1.
What is the InChIKey of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
The InChIKey is ZZVFQPMAZJVPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3S2/c1-3-17-8-10(7-14-17)22(18,19)16-13-15-11-5-4-9(20-2)6-12(11)21-13/h4-8H,3H2,1-2H3,(H,15,16).
What are the key properties of 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide?
1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide has a molecular weight of 338.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 6471069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).