(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

C17H17FN2O3S2 — CID 16937802

IUPAC(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCOc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(F)cc1)n2CC
InChIInChI=1S/C17H17FN2O3S2/c1-3-20-15-10-7-13(23-4-2)11-16(15)24-17(20)19-25(21,22)14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3/b19-17-
InChIKeyXWVMMLVTOHFSNR-ZPHPHTNESA-N
MW380.47 g/mol
LogP3.55
Rot. Bonds5

About (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 16937802) has the molecular formula C17H17FN2O3S2 and a molecular weight of 380.47 g/mol. Its IUPAC name is (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID16937802
Molecular FormulaC17H17FN2O3S2
Molecular Weight380.47 g/mol
Exact Mass380.07
IUPAC Name(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCOc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(F)cc1)n2CC
InChIInChI=1S/C17H17FN2O3S2/c1-3-20-15-10-7-13(23-4-2)11-16(15)24-17(20)19-25(21,22)14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3/b19-17-
InChIKeyXWVMMLVTOHFSNR-ZPHPHTNESA-N
XLogP3.55
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-6-methoxy-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
CID 40892134
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
(NZ)-N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)benzenesulfonamide
CID 16936963
(NZ)-N-(6-ethoxy-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methylbenzenesulfonamide
CID 16937280
N-[6-ethoxy-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40849548
N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 40891781
(NZ)-N-(6-fluoro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
CID 16937492
ethyl 2-[(2Z)-6-bromo-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate
CID 16937893
4-fluoro-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892187
N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-propan-2-ylsulfonylbenzamide
CID 42523030
N-[(2Z)-3-(2-ethoxyethyl)-2-(4-fluorophenyl)sulfonylimino-1,3-benzothiazol-6-yl]acetamide
CID 16937867

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (CID 16937802) is (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is CCOc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(F)cc1)n2CC.
What is the InChIKey of (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is XWVMMLVTOHFSNR-ZPHPHTNESA-N. The full InChI is InChI=1S/C17H17FN2O3S2/c1-3-20-15-10-7-13(23-4-2)11-16(15)24-17(20)19-25(21,22)14-8-5-12(18)6-9-14/h5-11H,3-4H2,1-2H3/b19-17-.
What are the key properties of (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
(NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 380.47 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16937802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).