N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide

C14H10FN3OS2 — CID 7484468

IUPACN-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1cccc2nsnc12
InChIInChI=1S/C14H10FN3OS2/c15-9-4-1-2-7-12(9)20-8-13(19)16-10-5-3-6-11-14(10)18-21-17-11/h1-7H,8H2,(H,16,19)
InChIKeyUPUGGUUCAFIXTR-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.56
Rot. Bonds4

About N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide

N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide (PubChem CID 7484468) has the molecular formula C14H10FN3OS2 and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
PubChem CID7484468
Molecular FormulaC14H10FN3OS2
Molecular Weight319.39 g/mol
Exact Mass319.02
IUPAC NameN-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccccc1F)Nc1cccc2nsnc12
InChIInChI=1S/C14H10FN3OS2/c15-9-4-1-2-7-12(9)20-8-13(19)16-10-5-3-6-11-14(10)18-21-17-11/h1-7H,8H2,(H,16,19)
InChIKeyUPUGGUUCAFIXTR-UHFFFAOYSA-N
XLogP3.56
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminopropylsulfanyl)-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66219437
2-amino-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 110470032
2-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 7845508
N-(2-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591754
2-(3-amino-2-methylpropyl)sulfanyl-N-(2,1,3-benzothiadiazol-4-yl)acetamide
CID 66227687
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-tert-butyltetrazol-5-yl)sulfanylacetamide
CID 46639092
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanylacetamide
CID 3442292
N-(2,1,3-benzothiadiazol-4-yl)-2-[(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 146025369
N-(2,1,3-benzothiadiazol-4-yl)-2-(1-cyclopropylimidazol-2-yl)sulfanylacetamide
CID 16587956
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] pyrrolidine-1-carbodithioate
CID 30688622
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenoxy)butanamide
CID 51064581
N-(2,1,3-benzothiadiazol-4-yl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 43026580

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide (CID 7484468) is N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide is O=C(CSc1ccccc1F)Nc1cccc2nsnc12.
What is the InChIKey of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
The InChIKey is UPUGGUUCAFIXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3OS2/c15-9-4-1-2-7-12(9)20-8-13(19)16-10-5-3-6-11-14(10)18-21-17-11/h1-7H,8H2,(H,16,19).
What are the key properties of N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide?
N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide has a molecular weight of 319.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-4-yl)-2-(2-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 7484468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).