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

C10H10N2O2S2 — CID 143666508

IUPACN-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C10H10N2O2S2/c1-3-16(13,14)12-8-4-5-9-10(6-8)15-7(2)11-9/h3-6,12H,1H2,2H3
InChIKeyPUJPBFBGTPIHME-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.49
Rot. Bonds3

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

N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide (PubChem CID 143666508) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
PubChem CID143666508
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC NameN-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2nc(C)sc2c1
InChIInChI=1S/C10H10N2O2S2/c1-3-16(13,14)12-8-4-5-9-10(6-8)15-7(2)11-9/h3-6,12H,1H2,2H3
InChIKeyPUJPBFBGTPIHME-UHFFFAOYSA-N
XLogP2.49
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-(2-methyl-1,3-benzothiazol-6-yl)-2-phenylethenesulfonamide
CID 8603510
N-(2-methyl-1,3-benzothiazol-6-yl)-4-methylsulfonylbenzenesulfonamide
CID 46534623
2-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 2118309
N-(2-methyl-1,3-benzothiazol-6-yl)-4-propylbenzenesulfonamide
CID 59018198
N-hex-5-en-2-yl-2-methyl-1,3-benzothiazol-6-amine
CID 104655447
2-methyl-6-(sulfinatoamino)-1,3-benzothiazole
CID 20746267
N-(2-methyl-1,3-benzothiazol-6-yl)-2-nitrobenzenesulfonamide
CID 8603504
3-bromo-4-methoxy-N-(2-methyl-1,3-benzothiazol-6-yl)benzenesulfonamide
CID 4816108
2-N-(2-methyl-1,3-benzothiazol-6-yl)propane-1,2-diamine
CID 103388112
2-methyl-1,3-benzothiazole-6-sulfonyl fluoride
CID 150804150
N-(1-cyclopropylethyl)-2-methyl-1,3-benzothiazol-6-amine
CID 43682682
N-(2-methyl-1,3-benzothiazol-6-yl)-2-(4-nitrophenyl)ethanesulfonamide
CID 71915018

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide?
The IUPAC name of N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide (CID 143666508) is N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide.
What is the SMILES notation for N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide?
The canonical SMILES for N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide is C=CS(=O)(=O)Nc1ccc2nc(C)sc2c1.
What is the InChIKey of N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide?
The InChIKey is PUJPBFBGTPIHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-3-16(13,14)12-8-4-5-9-10(6-8)15-7(2)11-9/h3-6,12H,1H2,2H3.
What are the key properties of N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide?
N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide has a molecular weight of 254.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzothiazol-6-yl)ethenesulfonamide is sourced from PubChem (CID 143666508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).