4-methyl-1,3-benzothiazole-6-sulfonamide

C8H8N2O2S2 — CID 119095250

IUPAC4-methyl-1,3-benzothiazole-6-sulfonamide
SMILESCc1cc(S(N)(=O)=O)cc2scnc12
InChIInChI=1S/C8H8N2O2S2/c1-5-2-6(14(9,11)12)3-7-8(5)10-4-13-7/h2-4H,1H3,(H2,9,11,12)
InChIKeyKEXQAEFUCRHYDK-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.25
Rot. Bonds1

About 4-methyl-1,3-benzothiazole-6-sulfonamide

4-methyl-1,3-benzothiazole-6-sulfonamide (PubChem CID 119095250) has the molecular formula C8H8N2O2S2 and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-methyl-1,3-benzothiazole-6-sulfonamide.

Molecular Properties

Compound Name4-methyl-1,3-benzothiazole-6-sulfonamide
PubChem CID119095250
Molecular FormulaC8H8N2O2S2
Molecular Weight228.30 g/mol
Exact Mass228.00
IUPAC Name4-methyl-1,3-benzothiazole-6-sulfonamide
SMILESCc1cc(S(N)(=O)=O)cc2scnc12
InChIInChI=1S/C8H8N2O2S2/c1-5-2-6(14(9,11)12)3-7-8(5)10-4-13-7/h2-4H,1H3,(H2,9,11,12)
InChIKeyKEXQAEFUCRHYDK-UHFFFAOYSA-N
XLogP1.25
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-4-methyl-1,3-benzothiazole
CID 53413085
4-methyl-1,3-benzothiazole-6-carbaldehyde
CID 166070026
3-bromo-4-chloro-5-methylbenzenesulfonamide
CID 171001910
3-methyl-1-benzothiophene-6-sulfonamide
CID 20824587
4,6-dimethyl-[1,3]thiazolo[4,5-c]pyridine
CID 58570410
N-(4,5-dihydro-1H-imidazol-2-yl)-4-methyl-1,3-benzothiazol-6-amine
CID 18343053
3,5-dimethyl-4-(propan-2-ylsulfonylamino)benzenesulfonamide
CID 60864212
1-[(4-methyl-1,3-benzothiazol-7-yl)sulfonyl]ethane-1,2-diamine
CID 22419921
4-chloro-5-methylbenzene-1,3-disulfonamide
CID 134098209
4-(2-bromoprop-2-enoxy)-3,5-dimethylbenzenesulfonamide
CID 82913558
3,4-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)methylamino]benzenesulfonamide
CID 104769750
4-chloro-3-fluoro-5-methylbenzenesulfonamide
CID 118838881

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-benzothiazole-6-sulfonamide?
The IUPAC name of 4-methyl-1,3-benzothiazole-6-sulfonamide (CID 119095250) is 4-methyl-1,3-benzothiazole-6-sulfonamide.
What is the SMILES notation for 4-methyl-1,3-benzothiazole-6-sulfonamide?
The canonical SMILES for 4-methyl-1,3-benzothiazole-6-sulfonamide is Cc1cc(S(N)(=O)=O)cc2scnc12.
What is the InChIKey of 4-methyl-1,3-benzothiazole-6-sulfonamide?
The InChIKey is KEXQAEFUCRHYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S2/c1-5-2-6(14(9,11)12)3-7-8(5)10-4-13-7/h2-4H,1H3,(H2,9,11,12).
What are the key properties of 4-methyl-1,3-benzothiazole-6-sulfonamide?
4-methyl-1,3-benzothiazole-6-sulfonamide has a molecular weight of 228.30 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-benzothiazole-6-sulfonamide is sourced from PubChem (CID 119095250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).