N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide

C14H10ClN3O2S — CID 6458412

IUPACN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C14H10ClN3O2S/c15-10-6-7-11-14(18-21-17-11)13(10)16-12(19)8-20-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)
InChIKeyDLRZGUFORUGGCH-UHFFFAOYSA-N
MW319.77 g/mol
LogP3.36
Rot. Bonds4

About N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide

N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide (PubChem CID 6458412) has the molecular formula C14H10ClN3O2S and a molecular weight of 319.77 g/mol. Its IUPAC name is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
PubChem CID6458412
Molecular FormulaC14H10ClN3O2S
Molecular Weight319.77 g/mol
Exact Mass319.02
IUPAC NameN-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1c(Cl)ccc2nsnc12
InChIInChI=1S/C14H10ClN3O2S/c15-10-6-7-11-14(18-21-17-11)13(10)16-12(19)8-20-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19)
InChIKeyDLRZGUFORUGGCH-UHFFFAOYSA-N
XLogP3.36
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
The IUPAC name of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide (CID 6458412) is N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1c(Cl)ccc2nsnc12.
What is the InChIKey of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
The InChIKey is DLRZGUFORUGGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2S/c15-10-6-7-11-14(18-21-17-11)13(10)16-12(19)8-20-9-4-2-1-3-5-9/h1-7H,8H2,(H,16,19).
What are the key properties of N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide?
N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide has a molecular weight of 319.77 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,1,3-benzothiadiazol-4-yl)-2-phenoxyacetamide is sourced from PubChem (CID 6458412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).