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

C15H14N2O2S2 — CID 596166

IUPAC4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3snc(C)c3c2)cc1
InChIInChI=1S/C15H14N2O2S2/c1-10-3-6-13(7-4-10)21(18,19)17-12-5-8-15-14(9-12)11(2)16-20-15/h3-9,17H,1-2H3
InChIKeyWCERXCYSQPPGIR-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.71
Rot. Bonds3

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

4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide (PubChem CID 596166) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide
PubChem CID596166
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC Name4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3snc(C)c3c2)cc1
InChIInChI=1S/C15H14N2O2S2/c1-10-3-6-13(7-4-10)21(18,19)17-12-5-8-15-14(9-12)11(2)16-20-15/h3-9,17H,1-2H3
InChIKeyWCERXCYSQPPGIR-UHFFFAOYSA-N
XLogP3.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide (CID 596166) is 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3snc(C)c3c2)cc1.
What is the InChIKey of 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide?
The InChIKey is WCERXCYSQPPGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-3-6-13(7-4-10)21(18,19)17-12-5-8-15-14(9-12)11(2)16-20-15/h3-9,17H,1-2H3.
What are the key properties of 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide?
4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide has a molecular weight of 318.42 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-1,2-benzothiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 596166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).