N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide

C16H14FN3O4S2 — CID 46325687

IUPACN-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(C)=O)nc12
InChIInChI=1S/C16H14FN3O4S2/c1-9(21)18-16-19-15-12(24-2)7-10(8-13(15)25-16)20-26(22,23)14-6-4-3-5-11(14)17/h3-8,20H,1-2H3,(H,18,19,21)
InChIKeyGFJYLFXZYXEXFE-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.20
Rot. Bonds5

About N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide

N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide (PubChem CID 46325687) has the molecular formula C16H14FN3O4S2 and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
PubChem CID46325687
Molecular FormulaC16H14FN3O4S2
Molecular Weight395.44 g/mol
Exact Mass395.04
IUPAC NameN-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(C)=O)nc12
InChIInChI=1S/C16H14FN3O4S2/c1-9(21)18-16-19-15-12(24-2)7-10(8-13(15)25-16)20-26(22,23)14-6-4-3-5-11(14)17/h3-8,20H,1-2H3,(H,18,19,21)
InChIKeyGFJYLFXZYXEXFE-UHFFFAOYSA-N
XLogP3.20
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-[(2,5-dimethylphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46325673
N-[6-[(3,4-difluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325722
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methyl-1,3-benzothiazol-2-yl]benzamide
CID 46325627
N-[4-[(2-fluorophenyl)sulfonylamino]-2-methoxyphenyl]acetamide
CID 60527169
N-[4-methoxy-6-[(2-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326019
N-[4-[[4-methoxy-2-(propanoylamino)-1,3-benzothiazol-6-yl]sulfamoyl]phenyl]propanamide
CID 46325654
N-[4-methoxy-6-[(3-methylphenyl)carbamoylamino]-1,3-benzothiazol-2-yl]acetamide
CID 46326028
N-[6-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325719
N-[6-[(4-ethoxyphenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]benzamide
CID 46325720
N-[4-methoxy-6-[(4-propylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]benzamide
CID 46325696
N-[4-methoxy-6-[(4-propan-2-ylphenyl)sulfonylamino]-1,3-benzothiazol-2-yl]propanamide
CID 46325650
N-[6-[(2,4-dimethylphenyl)carbamoylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide
CID 46326031

Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
The IUPAC name of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide (CID 46325687) is N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
The canonical SMILES for N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide is COc1cc(NS(=O)(=O)c2ccccc2F)cc2sc(NC(C)=O)nc12.
What is the InChIKey of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
The InChIKey is GFJYLFXZYXEXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S2/c1-9(21)18-16-19-15-12(24-2)7-10(8-13(15)25-16)20-26(22,23)14-6-4-3-5-11(14)17/h3-8,20H,1-2H3,(H,18,19,21).
What are the key properties of N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide?
N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide has a molecular weight of 395.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-fluorophenyl)sulfonylamino]-4-methoxy-1,3-benzothiazol-2-yl]acetamide is sourced from PubChem (CID 46325687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).