4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide

C16H14N2O4S2 — CID 40849610

IUPAC4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2sc3cc4c(cc3n2C)OCO4)cc1
InChIInChI=1S/C16H14N2O4S2/c1-10-3-5-11(6-4-10)24(19,20)17-16-18(2)12-7-13-14(22-9-21-13)8-15(12)23-16/h3-8H,9H2,1-2H3
InChIKeyKNTZFGHAUFFZJE-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.57
Rot. Bonds2

About 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide

4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide (PubChem CID 40849610) has the molecular formula C16H14N2O4S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
PubChem CID40849610
Molecular FormulaC16H14N2O4S2
Molecular Weight362.43 g/mol
Exact Mass362.04
IUPAC Name4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2sc3cc4c(cc3n2C)OCO4)cc1
InChIInChI=1S/C16H14N2O4S2/c1-10-3-5-11(6-4-10)24(19,20)17-16-18(2)12-7-13-14(22-9-21-13)8-15(12)23-16/h3-8H,9H2,1-2H3
InChIKeyKNTZFGHAUFFZJE-UHFFFAOYSA-N
XLogP2.57
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40849614
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908
methyl 2-[6-(4-methylphenyl)sulfonylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 40849629
4-ethylsulfonyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzamide
CID 7553245
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-4-propan-2-ylsulfonylbenzamide
CID 42523042
4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892129
N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 121044208
methyl 3-[6-[3-(4-methylphenyl)sulfonylpropanoylimino]-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]propanoate
CID 41135783
N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)-2-[methyl(methylsulfonyl)amino]acetamide
CID 43978594
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
CID 16937597
(NZ)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937336
N-(7-ethyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)thiophene-2-sulfonamide
CID 40892454

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide (CID 40849610) is 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=c2sc3cc4c(cc3n2C)OCO4)cc1.
What is the InChIKey of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide?
The InChIKey is KNTZFGHAUFFZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S2/c1-10-3-5-11(6-4-10)24(19,20)17-16-18(2)12-7-13-14(22-9-21-13)8-15(12)23-16/h3-8H,9H2,1-2H3.
What are the key properties of 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide?
4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide has a molecular weight of 362.43 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide is sourced from PubChem (CID 40849610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).