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

C19H15ClN2O2S2 — CID 16841619

IUPAC(NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCn1/c(=N\S(=O)(=O)c2ccc(Cl)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C19H15ClN2O2S2/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+
InChIKeyUXEZXPLYGIZOON-XUTLUUPISA-N
MW402.93 g/mol
LogP4.82
Rot. Bonds3

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

(NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16841619) has the molecular formula C19H15ClN2O2S2 and a molecular weight of 402.93 g/mol. Its IUPAC name is (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16841619
Molecular FormulaC19H15ClN2O2S2
Molecular Weight402.93 g/mol
Exact Mass402.03
IUPAC Name(NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCn1/c(=N\S(=O)(=O)c2ccc(Cl)cc2)sc2c3ccccc3ccc21
InChIInChI=1S/C19H15ClN2O2S2/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+
InChIKeyUXEZXPLYGIZOON-XUTLUUPISA-N
XLogP4.82
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.93
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(NE)-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 16841599
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-2,2-dimethylpropanamide
CID 5105360
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 40849508
4-chloro-N-[3-ethyl-4-(2-methyl-1-benzofuran-3-yl)-1,3-thiazol-2-ylidene]benzenesulfonamide
CID 3940172
N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4184631
N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849297
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891775
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936963
(NZ)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937386
4-tert-butyl-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzamide
CID 4191264
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937642
1-(4-chlorophenyl)sulfonyl-N-(3-methylbenzo[g][1,3]benzothiazol-2-ylidene)pyrrolidine-2-carboxamide
CID 16924721

Frequently Asked Questions

What is the IUPAC name of (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide (CID 16841619) is (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide is CCn1/c(=N\S(=O)(=O)c2ccc(Cl)cc2)sc2c3ccccc3ccc21.
What is the InChIKey of (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is UXEZXPLYGIZOON-XUTLUUPISA-N. The full InChI is InChI=1S/C19H15ClN2O2S2/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)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide?
(NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 402.93 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-chloro-N-(3-ethylbenzo[g][1,3]benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16841619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).