2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

C20H15FN2O3S2 — CID 7523697

IUPAC2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C20H15FN2O3S2/c1-23-17-11-6-13-4-2-3-5-16(13)19(17)27-20(23)22-18(24)12-28(25,26)15-9-7-14(21)8-10-15/h2-11H,12H2,1H3/b22-20-
InChIKeyUZGAVPMHLMQMDH-XDOYNYLZSA-N
MW414.48 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide

2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (PubChem CID 7523697) has the molecular formula C20H15FN2O3S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
PubChem CID7523697
Molecular FormulaC20H15FN2O3S2
Molecular Weight414.48 g/mol
Exact Mass414.05
IUPAC Name2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
SMILESCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C20H15FN2O3S2/c1-23-17-11-6-13-4-2-3-5-16(13)19(17)27-20(23)22-18(24)12-28(25,26)15-9-7-14(21)8-10-15/h2-11H,12H2,1H3/b22-20-
InChIKeyUZGAVPMHLMQMDH-XDOYNYLZSA-N
XLogP3.43
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide (CID 7523697) is 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is Cn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21.
What is the InChIKey of 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
The InChIKey is UZGAVPMHLMQMDH-XDOYNYLZSA-N. The full InChI is InChI=1S/C20H15FN2O3S2/c1-23-17-11-6-13-4-2-3-5-16(13)19(17)27-20(23)22-18(24)12-28(25,26)15-9-7-14(21)8-10-15/h2-11H,12H2,1H3/b22-20-.
What are the key properties of 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide?
2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide has a molecular weight of 414.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide is sourced from PubChem (CID 7523697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).