2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

C18H20N2O2S2 — CID 984111

IUPAC2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2s1
InChIInChI=1S/C18H20N2O2S2/c1-10-8-11(2)13(4)18(12(10)3)24(21,22)20-15-6-7-17-16(9-15)19-14(5)23-17/h6-9,20H,1-5H3
InChIKeyJUZLMBVWPRSVEE-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.64
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 984111) has the molecular formula C18H20N2O2S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
PubChem CID984111
Molecular FormulaC18H20N2O2S2
Molecular Weight360.50 g/mol
Exact Mass360.10
IUPAC Name2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2s1
InChIInChI=1S/C18H20N2O2S2/c1-10-8-11(2)13(4)18(12(10)3)24(21,22)20-15-6-7-17-16(9-15)19-14(5)23-17/h6-9,20H,1-5H3
InChIKeyJUZLMBVWPRSVEE-UHFFFAOYSA-N
XLogP4.64
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-Dimethyl-N-(2-methylbenzo[d]thiazol-5-yl)benzenesulfonamide
CID 768655
4-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 1239093
4-fluoro-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 3863948
N-(2-(3-(4-(aminomethyl)phenyl)propylamino)ethyl)-2-methylbenzo[d]thiazole-6-sulfonamide
CID 44411807
N-(benzo[d]thiazol-5-yl)-2,5-dimethylbenzenesulfonamide
CID 976409
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 1241119
[(5-Benzothiazol-2-yl-2-methylphenyl)sulfonyl]pyrrolidine
CID 1248985
3,4-dimethyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 1536986
3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2105805
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2329869
2-Methyl-4-(4-methylphenyl)sulfonylbenzo[g][1,3]benzothiazol-5-amine
CID 70684419
2-[(E)-2-(3,4,5-triethylphenyl)ethenyl]-1,3-benzothiazole
CID 122183838

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide (CID 984111) is 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is Cc1nc2cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc2s1.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is JUZLMBVWPRSVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S2/c1-10-8-11(2)13(4)18(12(10)3)24(21,22)20-15-6-7-17-16(9-15)19-14(5)23-17/h6-9,20H,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 360.50 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 984111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).