3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

C15H14N2O3S2 — CID 3241875

IUPAC3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1
InChIInChI=1S/C15H14N2O3S2/c1-10-16-14-8-11(6-7-15(14)21-10)17-22(18,19)13-5-3-4-12(9-13)20-2/h3-9,17H,1-2H3
InChIKeyOWBRRFMDVKSJDK-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.41
Rot. Bonds4

About 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 3241875) has the molecular formula C15H14N2O3S2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID3241875
Molecular FormulaC15H14N2O3S2
Molecular Weight334.42 g/mol
Exact Mass334.04
IUPAC Name3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1
InChIInChI=1S/C15H14N2O3S2/c1-10-16-14-8-11(6-7-15(14)21-10)17-22(18,19)13-5-3-4-12(9-13)20-2/h3-9,17H,1-2H3
InChIKeyOWBRRFMDVKSJDK-UHFFFAOYSA-N
XLogP3.41
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 3241875) is 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1.
What is the InChIKey of 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is OWBRRFMDVKSJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S2/c1-10-16-14-8-11(6-7-15(14)21-10)17-22(18,19)13-5-3-4-12(9-13)20-2/h3-9,17H,1-2H3.
What are the key properties of 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 334.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3241875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).