4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide

C16H15FN2O3S2 — CID 40892178

IUPAC4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
SMILESCOCCn1c(=NS(=O)(=O)c2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C16H15FN2O3S2/c1-22-11-10-19-14-4-2-3-5-15(14)23-16(19)18-24(20,21)13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3
InChIKeyJOSPBDZOLHDPSN-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.78
Rot. Bonds5

About 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide

4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide (PubChem CID 40892178) has the molecular formula C16H15FN2O3S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
PubChem CID40892178
Molecular FormulaC16H15FN2O3S2
Molecular Weight366.44 g/mol
Exact Mass366.05
IUPAC Name4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
SMILESCOCCn1c(=NS(=O)(=O)c2ccc(F)cc2)sc2ccccc21
InChIInChI=1S/C16H15FN2O3S2/c1-22-11-10-19-14-4-2-3-5-15(14)23-16(19)18-24(20,21)13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3
InChIKeyJOSPBDZOLHDPSN-UHFFFAOYSA-N
XLogP2.78
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(NZ)-4-chloro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937642
4-fluoro-N-[3-(2-methoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40892187
(NZ)-4-fluoro-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937972
N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 40849360
4-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide
CID 25407415
(NZ)-4-methoxy-N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937438
(NZ)-N-[3-(2-methoxyethyl)-5,6-dimethyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937336
1-(4-fluorophenyl)sulfonyl-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]piperidine-4-carboxamide
CID 42523224
(NZ)-4-chloro-N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]benzenesulfonamide
CID 16937639
N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 40891760
(NZ)-N-[3-(2-methoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-methylbenzenesulfonamide
CID 16937341
(NZ)-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-4-fluorobenzenesulfonamide
CID 16937965

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide (CID 40892178) is 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide is COCCn1c(=NS(=O)(=O)c2ccc(F)cc2)sc2ccccc21.
What is the InChIKey of 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide?
The InChIKey is JOSPBDZOLHDPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S2/c1-22-11-10-19-14-4-2-3-5-15(14)23-16(19)18-24(20,21)13-8-6-12(17)7-9-13/h2-9H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide?
4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]benzenesulfonamide is sourced from PubChem (CID 40892178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).