(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide

C16H14N2O2S2 — CID 8603510

IUPAC(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S2/c1-12-17-15-8-7-14(11-16(15)21-12)18-22(19,20)10-9-13-5-3-2-4-6-13/h2-11,18H,1H3/b10-9+
InChIKeyMAZWIQMCIRIBGT-MDZDMXLPSA-N
MW330.43 g/mol
LogP4.02
Rot. Bonds4

About (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide

(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide (PubChem CID 8603510) has the molecular formula C16H14N2O2S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
PubChem CID8603510
Molecular FormulaC16H14N2O2S2
Molecular Weight330.43 g/mol
Exact Mass330.05
IUPAC Name(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
SMILESCc1nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2s1
InChIInChI=1S/C16H14N2O2S2/c1-12-17-15-8-7-14(11-16(15)21-12)18-22(19,20)10-9-13-5-3-2-4-6-13/h2-11,18H,1H3/b10-9+
InChIKeyMAZWIQMCIRIBGT-MDZDMXLPSA-N
XLogP4.02
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
CID 143666508
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
(E)-N-[4-(methanesulfonamido)phenyl]-2-phenylethenesulfonamide
CID 31073494
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
(E)-N-(3-fluoro-4-methylsulfinylphenyl)-2-phenylethenesulfonamide
CID 75535525
N-(4,6-dimethylpyrimidin-2-yl)-4-(2-phenylethenylsulfonylamino)benzenesulfonamide
CID 1110754
N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzenesulfonamide
CID 8603504
4-(2-phenylethenylsulfonylamino)pyridine-2-carboxylic acid
CID 77003684
4-(benzenesulfonamido)-N-(2-methyl-1,3-benzothiazol-6-yl)benzamide
CID 24636272
2-methyl-N-pyridin-2-yl-1,3-benzothiazol-6-amine
CID 90997586
(E)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-phenylethenesulfonamide
CID 8523325
(E)-N-(4-amino-3,5-dichlorophenyl)-2-phenylethenesulfonamide
CID 8538690

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide (CID 8603510) is (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide is Cc1nc2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2s1.
What is the InChIKey of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide?
The InChIKey is MAZWIQMCIRIBGT-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H14N2O2S2/c1-12-17-15-8-7-14(11-16(15)21-12)18-22(19,20)10-9-13-5-3-2-4-6-13/h2-11,18H,1H3/b10-9+.
What are the key properties of (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide?
(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide has a molecular weight of 330.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide is sourced from PubChem (CID 8603510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).