N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide

C18H16ClFN2O3S2 — CID 43984697

IUPACN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
SMILESCCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cc(Cl)ccc21
InChIInChI=1S/C18H16ClFN2O3S2/c1-2-9-22-15-8-3-12(19)10-16(15)26-18(22)21-17(23)11-27(24,25)14-6-4-13(20)5-7-14/h3-8,10H,2,9,11H2,1H3/b21-18-
InChIKeyWHDZTIQNBUUMJH-UZYVYHOESA-N
MW426.92 g/mol
LogP3.81
Rot. Bonds5

About N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide

N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide (PubChem CID 43984697) has the molecular formula C18H16ClFN2O3S2 and a molecular weight of 426.92 g/mol. Its IUPAC name is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
PubChem CID43984697
Molecular FormulaC18H16ClFN2O3S2
Molecular Weight426.92 g/mol
Exact Mass426.03
IUPAC NameN-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide
SMILESCCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cc(Cl)ccc21
InChIInChI=1S/C18H16ClFN2O3S2/c1-2-9-22-15-8-3-12(19)10-16(15)26-18(22)21-17(23)11-27(24,25)14-6-4-13(20)5-7-14/h3-8,10H,2,9,11H2,1H3/b21-18-
InChIKeyWHDZTIQNBUUMJH-UZYVYHOESA-N
XLogP3.81
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-chlorophenyl)sulfonylacetamide
CID 41124577
N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonylacetamide
CID 41124735
N-[6-chloro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-methylphenyl)sulfonylacetamide
CID 41124574
2-(benzenesulfonyl)-N-(6-methylsulfonyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 16799806
N-(6-chloro-3-methyl-1,3-benzothiazol-2-ylidene)-2-(4-methylphenyl)sulfonylacetamide
CID 7519784
N-(6-ethyl-3-propyl-1,3-benzothiazol-2-ylidene)-3-(4-fluorophenyl)sulfonylpropanamide
CID 43984184
2-(benzenesulfonyl)-N-(6-methoxy-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 7540651
3-(4-chlorophenyl)sulfonyl-N-(6-propan-2-yl-3-propyl-1,3-benzothiazol-2-ylidene)propanamide
CID 43984334
N-[5,6-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonylacetamide
CID 41125896
2-(benzenesulfonyl)-N-(5,6-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 40697652
2-(4-chlorophenoxy)-N-(6-fluoro-3-propyl-1,3-benzothiazol-2-ylidene)acetamide
CID 43984884
2-(4-chlorophenyl)sulfonyl-N-[3-(2-methylsulfanylethyl)-6-nitro-1,3-benzothiazol-2-ylidene]acetamide
CID 41125261

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide (CID 43984697) is N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide is CCCn1/c(=N/C(=O)CS(=O)(=O)c2ccc(F)cc2)sc2cc(Cl)ccc21.
What is the InChIKey of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is WHDZTIQNBUUMJH-UZYVYHOESA-N. The full InChI is InChI=1S/C18H16ClFN2O3S2/c1-2-9-22-15-8-3-12(19)10-16(15)26-18(22)21-17(23)11-27(24,25)14-6-4-13(20)5-7-14/h3-8,10H,2,9,11H2,1H3/b21-18-.
What are the key properties of N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide?
N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 426.92 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-propyl-1,3-benzothiazol-2-ylidene)-2-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 43984697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).