N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide

C15H14N2O2S2 — CID 976409

IUPACN-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C15H14N2O2S2/c1-10-3-4-11(2)15(7-10)21(18,19)17-12-5-6-14-13(8-12)16-9-20-14/h3-9,17H,1-2H3
InChIKeyPWGKTMAHFLRPIL-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.71
Rot. Bonds3

About N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide

N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide (PubChem CID 976409) has the molecular formula C15H14N2O2S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide
PubChem CID976409
Molecular FormulaC15H14N2O2S2
Molecular Weight318.42 g/mol
Exact Mass318.05
IUPAC NameN-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1
InChIInChI=1S/C15H14N2O2S2/c1-10-3-4-11(2)15(7-10)21(18,19)17-12-5-6-14-13(8-12)16-9-20-14/h3-9,17H,1-2H3
InChIKeyPWGKTMAHFLRPIL-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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Related Compounds

Benzothiazolium, 3-methyl-, 4-methylbenzenesulfonate (1:1)
CID 22489
N,4-Dimethyl-N-(2-methylbenzo[d]thiazol-5-yl)benzenesulfonamide
CID 768655
2,3,5,6-tetramethyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 984111
N-1,3-Benzothiazol-5-yl-6-(methylsulfonyl)-4-quinolinamine
CID 54673693
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 1241119
[(5-Benzothiazol-2-yl-2-methylphenyl)sulfonyl]pyrrolidine
CID 1248985
2-{[(2,5-Dimethylphenyl)sulfonyl]amino}-1,3-benzothiazole-6-sulfonamide
CID 1646814
3-methyl-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]benzenesulfonamide
CID 2105805
N-[4-(1,3-benzothiazol-2-yl)phenyl]methanesulfonamide
CID 16015832
3-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 755893
2-fluoro-N-(2-methyl-1,3-benzothiazol-5-yl)benzenesulfonamide
CID 888854
2-Methyl-N-(2-methylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 571521

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide (CID 976409) is N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1.
What is the InChIKey of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is PWGKTMAHFLRPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S2/c1-10-3-4-11(2)15(7-10)21(18,19)17-12-5-6-14-13(8-12)16-9-20-14/h3-9,17H,1-2H3.
What are the key properties of N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide?
N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide 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 N-(1,3-benzothiazol-5-yl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 976409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).