2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide

C14H12N4O3S2 — CID 22109591

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide
SMILESNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C14H12N4O3S2/c15-14(19)12(9-5-2-1-3-6-9)18-23(20,21)11-8-4-7-10-13(11)17-22-16-10/h1-8,12,18H,(H2,15,19)
InChIKeyVPEHQBXKGPMAKC-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.20
Rot. Bonds5

About 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide (PubChem CID 22109591) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide
PubChem CID22109591
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide
SMILESNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
InChIInChI=1S/C14H12N4O3S2/c15-14(19)12(9-5-2-1-3-6-9)18-23(20,21)11-8-4-7-10-13(11)17-22-16-10/h1-8,12,18H,(H2,15,19)
InChIKeyVPEHQBXKGPMAKC-UHFFFAOYSA-N
XLogP1.20
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetic acid
CID 585289
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-cyclopentyl-2-phenylacetamide
CID 3245959
(2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 92661951
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(2-methoxyphenyl)methyl]-2-phenylacetamide
CID 6619568
(2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-phenylacetamide
CID 93157893
N-[(1R)-2-(4-cyclohexylpiperazin-1-yl)-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 92661929
benzyl (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
CID 2399113
N-[2-[3,5-dioxo-4-(2-phenylethyl)piperazin-1-yl]-2-oxo-1-phenylethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 20857010
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)hexanoic acid
CID 104934694
N-[(2R)-1-hydroxypropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 79027696
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,3-dimethylbutanoate
CID 2342094
(2S,3S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylpentanoate
CID 6924494

Frequently Asked Questions

What is the IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide (CID 22109591) is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide is NC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide?
The InChIKey is VPEHQBXKGPMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c15-14(19)12(9-5-2-1-3-6-9)18-23(20,21)11-8-4-7-10-13(11)17-22-16-10/h1-8,12,18H,(H2,15,19).
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide has a molecular weight of 348.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetamide is sourced from PubChem (CID 22109591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).