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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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).