2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide

C16H16N2O4S2 — CID 4806091

IUPAC2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1
InChIInChI=1S/C16H16N2O4S2/c1-10-5-4-6-13-15(10)17-16(23-13)18-24(19,20)14-9-11(21-2)7-8-12(14)22-3/h4-9H,1-3H3,(H,17,18)
InChIKeyOYJITKCHGVKRAF-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.42
Rot. Bonds5

About 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide

2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide (PubChem CID 4806091) has the molecular formula C16H16N2O4S2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
PubChem CID4806091
Molecular FormulaC16H16N2O4S2
Molecular Weight364.45 g/mol
Exact Mass364.06
IUPAC Name2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1
InChIInChI=1S/C16H16N2O4S2/c1-10-5-4-6-13-15(10)17-16(23-13)18-24(19,20)14-9-11(21-2)7-8-12(14)22-3/h4-9H,1-3H3,(H,17,18)
InChIKeyOYJITKCHGVKRAF-UHFFFAOYSA-N
XLogP3.42
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-fluoro-1,3-benzothiazol-2-yl)-2,5-dimethoxybenzenesulfonamide
CID 3764092
methyl 4-chloro-3-[(4-methyl-1,3-benzothiazol-2-yl)sulfamoyl]benzoate
CID 25335529
4,6-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-benzothiazol-2-amine
CID 157119634
2,5-dimethoxy-N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25044343
N-(4-chloro-1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
CID 16934023
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
4-iodo-N-(4-methoxy-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3376104
1-ethyl-5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazole-4-sulfonamide
CID 17376259
2,5-dimethoxy-N-(3-methylphenyl)benzenesulfonamide
CID 3383057
2,5-dimethoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 115631172
3-methoxy-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126566
2-[(2,4-dimethylphenyl)sulfonylamino]-4-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 16945173

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide (CID 4806091) is 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)Nc2nc3c(C)cccc3s2)c1.
What is the InChIKey of 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide?
The InChIKey is OYJITKCHGVKRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S2/c1-10-5-4-6-13-15(10)17-16(23-13)18-24(19,20)14-9-11(21-2)7-8-12(14)22-3/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide?
2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 4806091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).