(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

C19H15FN2O2S2 — CID 16841641

IUPAC(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCn1/c(=N\S(=O)(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C19H15FN2O2S2/c1-2-22-17-12-7-13-5-3-4-6-16(13)18(17)25-19(22)21-26(23,24)15-10-8-14(20)9-11-15/h3-12H,2H2,1H3/b21-19+
InChIKeyYNKVFTQLOWBZQL-XUTLUUPISA-N
MW386.47 g/mol
LogP4.30
Rot. Bonds3

About (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 16841641) has the molecular formula C19H15FN2O2S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID16841641
Molecular FormulaC19H15FN2O2S2
Molecular Weight386.47 g/mol
Exact Mass386.06
IUPAC Name(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCn1/c(=N\S(=O)(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C19H15FN2O2S2/c1-2-22-17-12-7-13-5-3-4-6-16(13)18(17)25-19(22)21-26(23,24)15-10-8-14(20)9-11-15/h3-12H,2H2,1H3/b21-19+
InChIKeyYNKVFTQLOWBZQL-XUTLUUPISA-N
XLogP4.30
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (CID 16841641) is (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is CCn1/c(=N\S(=O)(=O)c2ccc(F)cc2)sc2c3ccccc3ccc21.
What is the InChIKey of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is YNKVFTQLOWBZQL-XUTLUUPISA-N. The full InChI is InChI=1S/C19H15FN2O2S2/c1-2-22-17-12-7-13-5-3-4-6-16(13)18(17)25-19(22)21-26(23,24)15-10-8-14(20)9-11-15/h3-12H,2H2,1H3/b21-19+.
What are the key properties of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 386.47 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16841641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).