N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide

C15H12N2O4S2 — CID 16934012

IUPACN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C15H12N2O4S2/c1-9-2-4-10(5-3-9)23(18,19)17-15-16-11-6-12-13(21-8-20-12)7-14(11)22-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyIZLDUXGVFJLGAZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.13
Rot. Bonds3

About N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide (PubChem CID 16934012) has the molecular formula C15H12N2O4S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide
PubChem CID16934012
Molecular FormulaC15H12N2O4S2
Molecular Weight348.41 g/mol
Exact Mass348.02
IUPAC NameN-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1
InChIInChI=1S/C15H12N2O4S2/c1-9-2-4-10(5-3-9)23(18,19)17-15-16-11-6-12-13(21-8-20-12)7-14(11)22-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyIZLDUXGVFJLGAZ-UHFFFAOYSA-N
XLogP3.13
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)acetamide
CID 5310257
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-propan-2-ylsulfonylbenzamide
CID 41148959
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-3-(4-methylphenoxy)propanamide
CID 167825990
4-methyl-N-(6-nitro-1,3-benzodioxol-5-yl)benzenesulfonamide
CID 169371408
4-(diethylsulfamoyl)-N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)benzamide
CID 22581313
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41235325
1-(3,5-dimethylphenyl)-3-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)urea
CID 121080957
1-(3-methylphenyl)-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea
CID 46382480
4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-N'-propan-2-yloxamide
CID 154847688
N-(2-methyl-1,3-benzothiazol-5-yl)-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-amine
CID 43968771
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-2-methylbenzamide
CID 7189878

Frequently Asked Questions

What is the IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide (CID 16934012) is N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3cc4c(cc3s2)OCO4)cc1.
What is the InChIKey of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is IZLDUXGVFJLGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O4S2/c1-9-2-4-10(5-3-9)23(18,19)17-15-16-11-6-12-13(21-8-20-12)7-14(11)22-15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide?
N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 348.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-([1,3]dioxolo[4,5-f][1,3]benzothiazol-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 16934012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).