(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide

C15H13FN2O2S2 — CID 16936963

IUPAC(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C15H13FN2O2S2/c1-2-18-13-9-8-11(16)10-14(13)21-15(18)17-22(19,20)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b17-15-
InChIKeyBSZMEKAYJGNOPR-ICFOKQHNSA-N
MW336.41 g/mol
LogP3.15
Rot. Bonds3

About (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide

(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide (PubChem CID 16936963) has the molecular formula C15H13FN2O2S2 and a molecular weight of 336.41 g/mol. Its IUPAC name is (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
PubChem CID16936963
Molecular FormulaC15H13FN2O2S2
Molecular Weight336.41 g/mol
Exact Mass336.04
IUPAC Name(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
SMILESCCn1/c(=N/S(=O)(=O)c2ccccc2)sc2cc(F)ccc21
InChIInChI=1S/C15H13FN2O2S2/c1-2-18-13-9-8-11(16)10-14(13)21-15(18)17-22(19,20)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b17-15-
InChIKeyBSZMEKAYJGNOPR-ICFOKQHNSA-N
XLogP3.15
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-3-ethyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849297
N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849398
ethyl 2-[2-(benzenesulfonylimino)-6-fluoro-1,3-benzothiazol-3-yl]acetate
CID 40849384
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)thiophene-2-sulfonamide
CID 40892331
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 40892134
(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 16937802
N-(6-methylsulfanyl-3-propyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40849467
N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891775
(NZ)-N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937386
4-fluoro-N-(6-fluoro-3-methyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 40892129
(NZ)-N-(6-ethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16937099
(NZ)-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937492

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The IUPAC name of (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide (CID 16936963) is (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide is CCn1/c(=N/S(=O)(=O)c2ccccc2)sc2cc(F)ccc21.
What is the InChIKey of (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
The InChIKey is BSZMEKAYJGNOPR-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13FN2O2S2/c1-2-18-13-9-8-11(16)10-14(13)21-15(18)17-22(19,20)12-6-4-3-5-7-12/h3-10H,2H2,1H3/b17-15-.
What are the key properties of (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide?
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 16936963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).