(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

C18H19FN2O2S2 — CID 16841643

IUPAC(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCCCc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(F)cc1)n2C
InChIInChI=1S/C18H19FN2O2S2/c1-3-4-5-13-6-11-16-17(12-13)24-18(21(16)2)20-25(22,23)15-9-7-14(19)8-10-15/h6-12H,3-5H2,1-2H3/b20-18-
InChIKeyAMEBQLURGAJVKU-ZZEZOPTASA-N
MW378.49 g/mol
LogP4.01
Rot. Bonds5

About (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide

(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (PubChem CID 16841643) has the molecular formula C18H19FN2O2S2 and a molecular weight of 378.49 g/mol. Its IUPAC name is (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
PubChem CID16841643
Molecular FormulaC18H19FN2O2S2
Molecular Weight378.49 g/mol
Exact Mass378.09
IUPAC Name(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide
SMILESCCCCc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(F)cc1)n2C
InChIInChI=1S/C18H19FN2O2S2/c1-3-4-5-13-6-11-16-17(12-13)24-18(21(16)2)20-25(22,23)15-9-7-14(19)8-10-15/h6-12H,3-5H2,1-2H3/b20-18-
InChIKeyAMEBQLURGAJVKU-ZZEZOPTASA-N
XLogP4.01
TPSA51.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The IUPAC name of (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide (CID 16841643) is (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide.
What is the SMILES notation for (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The canonical SMILES for (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is CCCCc1ccc2c(c1)s/c(=N\S(=O)(=O)c1ccc(F)cc1)n2C.
What is the InChIKey of (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
The InChIKey is AMEBQLURGAJVKU-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H19FN2O2S2/c1-3-4-5-13-6-11-16-17(12-13)24-18(21(16)2)20-25(22,23)15-9-7-14(19)8-10-15/h6-12H,3-5H2,1-2H3/b20-18-.
What are the key properties of (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide?
(NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide has a molecular weight of 378.49 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-(6-butyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16841643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).