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

C20H18N2O2S2 — CID 16841599

IUPAC(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCn1/c(=N\S(=O)(=O)c2ccc(C)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C20H18N2O2S2/c1-3-22-18-13-10-15-6-4-5-7-17(15)19(18)25-20(22)21-26(23,24)16-11-8-14(2)9-12-16/h4-13H,3H2,1-2H3/b21-20+
InChIKeyOMXXCBVSVFLKMN-QZQOTICOSA-N
MW382.51 g/mol
LogP4.47
Rot. Bonds3

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

(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide (PubChem CID 16841599) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
PubChem CID16841599
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC Name(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
SMILESCCn1/c(=N\S(=O)(=O)c2ccc(C)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C20H18N2O2S2/c1-3-22-18-13-10-15-6-4-5-7-17(15)19(18)25-20(22)21-26(23,24)16-11-8-14(2)9-12-16/h4-13H,3H2,1-2H3/b21-20+
InChIKeyOMXXCBVSVFLKMN-QZQOTICOSA-N
XLogP4.47
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14lambda6,17-Dithia-11,15-diazatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1,7,9,15-tetraene-14,14-dione
CID 722169
3-[2-(2-Thioxo-butylidene)-naphtho[1,2-d]thiazol-1-yl]-propane-1-sulfonic acid anion
CID 23712841
(E)-N-(3-ethylnaphtho[2,1-d]thiazol-2(3H)-ylidene)-4-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2152914
N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide
CID 4570049
(Z)-N-tosyl(3-ethyl-5,7-dimethyl-2,3-dihydro-1,3-benzothiazolidin-2-ylidene)amine
CID 40849508
(Z)-N-tosyl[5,7-dimethyl-3-(2-propynyl)-2,3-dihydro-1,3-benzothiazol-2-ylidene]amine
CID 40849522
2-(1-ethylbenzo[e][1,3]benzothiazol-2-ylidene)-N-phenylethanimine;4-methylbenzenesulfonic acid
CID 170853560
[4-chloro-2-[(Z)-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)methyl]thiochromen-1-yl] methanesulfonate
CID 134911233
2-(4-fluorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)acetamide
CID 7523697
(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16841641
(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16841643
(NZ)-N-(6-butyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16841645

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
The IUPAC name of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide (CID 16841599) is (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide.
What is the SMILES notation for (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
The canonical SMILES for (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide is CCn1/c(=N\S(=O)(=O)c2ccc(C)cc2)sc2c3ccccc3ccc21.
What is the InChIKey of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
The InChIKey is OMXXCBVSVFLKMN-QZQOTICOSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-3-22-18-13-10-15-6-4-5-7-17(15)19(18)25-20(22)21-26(23,24)16-11-8-14(2)9-12-16/h4-13H,3H2,1-2H3/b21-20+.
What are the key properties of (NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide?
(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide has a molecular weight of 382.51 g/mol, XLogP of 4.47, 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-methylbenzenesulfonamide is sourced from PubChem (CID 16841599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).