N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

C16H15FN2O3S2 — CID 40891783

IUPACN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCCn1c(=NS(=O)(=O)c2ccc(OC)cc2)sc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O3S2/c1-3-19-14-9-4-11(17)10-15(14)23-16(19)18-24(20,21)13-7-5-12(22-2)6-8-13/h4-10H,3H2,1-2H3
InChIKeyXVUGOXOVRJXUTB-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.16
Rot. Bonds4

About N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide

N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (PubChem CID 40891783) has the molecular formula C16H15FN2O3S2 and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
PubChem CID40891783
Molecular FormulaC16H15FN2O3S2
Molecular Weight366.44 g/mol
Exact Mass366.05
IUPAC NameN-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide
SMILESCCn1c(=NS(=O)(=O)c2ccc(OC)cc2)sc2cc(F)ccc21
InChIInChI=1S/C16H15FN2O3S2/c1-3-19-14-9-4-11(17)10-15(14)23-16(19)18-24(20,21)13-7-5-12(22-2)6-8-13/h4-10H,3H2,1-2H3
InChIKeyXVUGOXOVRJXUTB-UHFFFAOYSA-N
XLogP3.16
TPSA60.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide (CID 40891783) is N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is CCn1c(=NS(=O)(=O)c2ccc(OC)cc2)sc2cc(F)ccc21.
What is the InChIKey of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
The InChIKey is XVUGOXOVRJXUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S2/c1-3-19-14-9-4-11(17)10-15(14)23-16(19)18-24(20,21)13-7-5-12(22-2)6-8-13/h4-10H,3H2,1-2H3.
What are the key properties of N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide?
N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide has a molecular weight of 366.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-6-fluoro-1,3-benzothiazol-2-ylidene)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 40891783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).