4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine

C18H19NO4S2 — CID 75953930

IUPAC4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine
SMILESCOc1ccc(C=CS(=O)(=O)N2CCSc3ccccc32)cc1OC
InChIInChI=1S/C18H19NO4S2/c1-22-16-8-7-14(13-17(16)23-2)9-12-25(20,21)19-10-11-24-18-6-4-3-5-15(18)19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyMTVCGEAQYHATLY-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.62
Rot. Bonds5

About 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine

4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine (PubChem CID 75953930) has the molecular formula C18H19NO4S2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine
PubChem CID75953930
Molecular FormulaC18H19NO4S2
Molecular Weight377.49 g/mol
Exact Mass377.08
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine
SMILESCOc1ccc(C=CS(=O)(=O)N2CCSc3ccccc32)cc1OC
InChIInChI=1S/C18H19NO4S2/c1-22-16-8-7-14(13-17(16)23-2)9-12-25(20,21)19-10-11-24-18-6-4-3-5-15(18)19/h3-9,12-13H,10-11H2,1-2H3
InChIKeyMTVCGEAQYHATLY-UHFFFAOYSA-N
XLogP3.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1,4-benzothiazin-4-yl-(3,4-dimethoxyphenyl)methanone
CID 51155293
(E)-2-(3,4-dimethoxyphenyl)-N-(2-formylphenyl)ethenesulfonamide
CID 88998699
4-butylsulfonyl-2,3-dihydro-1,4-benzothiazine
CID 110713059
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
4-(3,4-dimethoxyphenyl)sulfonyl-6-(trifluoromethyl)-2,3-dihydro-1,4-benzothiazine
CID 71847833
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(3,4-dimethoxyphenyl)butanamide
CID 20955927
ethyl (E)-2-(3,4-dimethoxyphenyl)ethenesulfonate
CID 162339894
3-(3,4-dimethoxyphenyl)-1-[4-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]piperazin-1-yl]prop-2-en-1-one
CID 4690668
1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-3,4-dihydro-2H-quinoline-2,3-dicarboxylic acid
CID 139811728
1-[4-(benzenesulfonyl)piperazin-1-yl]-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 4045785
1-(2,3-dihydro-1,4-benzoxazin-4-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 67087721
2-(2,3-dihydro-1,4-benzothiazin-4-ylsulfonyl)-5-methylaniline
CID 61105637

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine (CID 75953930) is 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine is COc1ccc(C=CS(=O)(=O)N2CCSc3ccccc32)cc1OC.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
The InChIKey is MTVCGEAQYHATLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S2/c1-22-16-8-7-14(13-17(16)23-2)9-12-25(20,21)19-10-11-24-18-6-4-3-5-15(18)19/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine?
4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine has a molecular weight of 377.49 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethenylsulfonyl]-2,3-dihydro-1,4-benzothiazine is sourced from PubChem (CID 75953930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).