4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide

C17H16N2O4S2 — CID 40849614

IUPAC4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2sc3cc4c(cc3n2C)OCCO4)cc1
InChIInChI=1S/C17H16N2O4S2/c1-11-3-5-12(6-4-11)25(20,21)18-17-19(2)13-9-14-15(10-16(13)24-17)23-8-7-22-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWVIWZRZMHCXDAX-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.61
Rot. Bonds2

About 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide

4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 40849614) has the molecular formula C17H16N2O4S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID40849614
Molecular FormulaC17H16N2O4S2
Molecular Weight376.46 g/mol
Exact Mass376.06
IUPAC Name4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N=c2sc3cc4c(cc3n2C)OCCO4)cc1
InChIInChI=1S/C17H16N2O4S2/c1-11-3-5-12(6-4-11)25(20,21)18-17-19(2)13-9-14-15(10-16(13)24-17)23-8-7-22-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWVIWZRZMHCXDAX-UHFFFAOYSA-N
XLogP2.61
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(7-methyl-[1,3]dioxolo[4,5-f][1,3]benzothiazol-6-ylidene)benzenesulfonamide
CID 40849610
4-methoxy-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40891908
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 2-[6-(4-methylphenyl)sulfonylimino-[1,3]dioxolo[4,5-f][1,3]benzothiazol-7-yl]acetate
CID 40849629
(NZ)-4-fluoro-N-(3-prop-2-enyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 16937953
methyl 2-[(2Z)-2-(4-fluorophenyl)sulfonylimino-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-3-yl]acetate
CID 16937951
N-(3-prop-2-ynyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide
CID 40849444
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)sulfanylbutanamide
CID 40699836
4-[bis(2-methylpropyl)sulfamoyl]-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 41235613
4-acetyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzamide
CID 7153977
(NZ)-N-(6-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-chlorobenzenesulfonamide
CID 16937597

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide (CID 40849614) is 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)N=c2sc3cc4c(cc3n2C)OCCO4)cc1.
What is the InChIKey of 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is WVIWZRZMHCXDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S2/c1-11-3-5-12(6-4-11)25(20,21)18-17-19(2)13-9-14-15(10-16(13)24-17)23-8-7-22-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 40849614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).