(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide

C10H12N2O3S2 — CID 129012500

IUPAC(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCCOc1ccc2nc(CS(N)(=O)=O)sc2c1
InChIInChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
InChIKeyDJRLYFZDUSSRBQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds4

About (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide

(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide (PubChem CID 129012500) has the molecular formula C10H12N2O3S2 and a molecular weight of 272.35 g/mol. Its IUPAC name is (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide.

Molecular Properties

Compound Name(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
PubChem CID129012500
Molecular FormulaC10H12N2O3S2
Molecular Weight272.35 g/mol
Exact Mass272.03
IUPAC Name(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide
SMILESCCOc1ccc2nc(CS(N)(=O)=O)sc2c1
InChIInChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14)
InChIKeyDJRLYFZDUSSRBQ-UHFFFAOYSA-N
XLogP1.48
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
The IUPAC name of (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide (CID 129012500) is (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide.
What is the SMILES notation for (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
The canonical SMILES for (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide is CCOc1ccc2nc(CS(N)(=O)=O)sc2c1.
What is the InChIKey of (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
The InChIKey is DJRLYFZDUSSRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S2/c1-2-15-7-3-4-8-9(5-7)16-10(12-8)6-17(11,13)14/h3-5H,2,6H2,1H3,(H2,11,13,14).
What are the key properties of (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide?
(6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide has a molecular weight of 272.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethoxy-1,3-benzothiazol-2-yl)methanesulfonamide is sourced from PubChem (CID 129012500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).