N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

C15H14N2O4S2 — CID 53074945

IUPACN-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1
InChIInChI=1S/C15H14N2O4S2/c1-17-13-7-6-12(9-14(13)22-15(17)18)23(19,20)16-10-4-3-5-11(8-10)21-2/h3-9,16H,1-2H3
InChIKeyPLVKQBUIYLYTFW-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.41
Rot. Bonds4

About N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide

N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide (PubChem CID 53074945) has the molecular formula C15H14N2O4S2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
PubChem CID53074945
Molecular FormulaC15H14N2O4S2
Molecular Weight350.42 g/mol
Exact Mass350.04
IUPAC NameN-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1
InChIInChI=1S/C15H14N2O4S2/c1-17-13-7-6-12(9-14(13)22-15(17)18)23(19,20)16-10-4-3-5-11(8-10)21-2/h3-9,16H,1-2H3
InChIKeyPLVKQBUIYLYTFW-UHFFFAOYSA-N
XLogP2.41
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719368
N-(3-acetylphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 53075004
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
3-methyl-2-oxo-N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 100719078
1,4-diethyl-N-(3-methoxyphenyl)-2,3-dioxoquinoxaline-6-sulfonamide
CID 3245256
N-[1-(2-methoxyphenyl)ethyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133230873
N-[4-(diethylsulfamoyl)phenyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719054
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100719065
3-benzyl-N-(3-methyl-2-oxo-1,3-benzothiazol-6-yl)-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100536922
N-(4-butylphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100718974
N-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121043250
2-methoxy-5-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfamoyl]-N-propan-2-ylbenzamide
CID 100531007

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide (CID 53074945) is N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide is COc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
The InChIKey is PLVKQBUIYLYTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S2/c1-17-13-7-6-12(9-14(13)22-15(17)18)23(19,20)16-10-4-3-5-11(8-10)21-2/h3-9,16H,1-2H3.
What are the key properties of N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide?
N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide has a molecular weight of 350.42 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-methyl-2-oxo-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 53074945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).