N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C13H13N3O2S3 — CID 71897176

IUPACN-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C13H13N3O2S3/c1-9(8-10-4-3-7-19-10)16-21(17,18)12-6-2-5-11-13(12)15-20-14-11/h2-7,9,16H,8H2,1H3
InChIKeyHJWMDYBNGSBKRN-UHFFFAOYSA-N
MW339.47 g/mol
LogP2.66
Rot. Bonds5

About N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 71897176) has the molecular formula C13H13N3O2S3 and a molecular weight of 339.47 g/mol. Its IUPAC name is N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID71897176
Molecular FormulaC13H13N3O2S3
Molecular Weight339.47 g/mol
Exact Mass339.02
IUPAC NameN-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCC(Cc1cccs1)NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C13H13N3O2S3/c1-9(8-10-4-3-7-19-10)16-21(17,18)12-6-2-5-11-13(12)15-20-14-11/h2-7,9,16H,8H2,1H3
InChIKeyHJWMDYBNGSBKRN-UHFFFAOYSA-N
XLogP2.66
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 79027696
2-amino-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 55173103
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514661
2-hydrazinyl-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-sulfonamide
CID 63291970
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959
(2S,3S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylpentanoate
CID 6924494
(2,6-dichlorophenyl)methyl (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
CID 2421040
N-(3-chlorobutyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 65033045
benzyl (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
CID 2399113
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3,3-dimethylbutanoate
CID 2342094
4-amino-2-methyl-N-(1-thiophen-2-ylpropan-2-yl)benzenesulfonamide
CID 63291367
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 119101172

Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 71897176) is N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is CC(Cc1cccs1)NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is HJWMDYBNGSBKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S3/c1-9(8-10-4-3-7-19-10)16-21(17,18)12-6-2-5-11-13(12)15-20-14-11/h2-7,9,16H,8H2,1H3.
What are the key properties of N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 71897176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).