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

C15H13N5O2S3 — CID 122265336

IUPACN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1cccc2nsnc12
InChIInChI=1S/C15H13N5O2S3/c21-25(22,14-6-1-4-11-15(14)19-24-18-11)17-10-12(13-5-2-9-23-13)20-8-3-7-16-20/h1-9,12,17H,10H2
InChIKeyDRHOMITXXSILLW-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.52
Rot. Bonds6

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

N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 122265336) has the molecular formula C15H13N5O2S3 and a molecular weight of 391.50 g/mol. Its IUPAC name is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID122265336
Molecular FormulaC15H13N5O2S3
Molecular Weight391.50 g/mol
Exact Mass391.02
IUPAC NameN-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(NCC(c1cccs1)n1cccn1)c1cccc2nsnc12
InChIInChI=1S/C15H13N5O2S3/c21-25(22,14-6-1-4-11-15(14)19-24-18-11)17-10-12(13-5-2-9-23-13)20-8-3-7-16-20/h1-9,12,17H,10H2
InChIKeyDRHOMITXXSILLW-UHFFFAOYSA-N
XLogP2.52
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-chloro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265246
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)thiophene-2-sulfonamide
CID 122265220
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 122265298
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265215
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)cyclopropanesulfonamide
CID 122265214
5-fluoro-2-methoxy-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)benzenesulfonamide
CID 122265269
N-(2-aminopropyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 63732959
3,3,3-trifluoro-N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)propane-1-sulfonamide
CID 122265333
N-(2-hydroxy-2,2-dithiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 119101172
N-(1-thiophen-2-ylpropan-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 71897176
methyl 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-thiophen-2-ylpropanoate
CID 46514661
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 122265336) is N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(NCC(c1cccs1)n1cccn1)c1cccc2nsnc12.
What is the InChIKey of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is DRHOMITXXSILLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O2S3/c21-25(22,14-6-1-4-11-15(14)19-24-18-11)17-10-12(13-5-2-9-23-13)20-8-3-7-16-20/h1-9,12,17H,10H2.
What are the key properties of N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 391.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-yl-2-thiophen-2-ylethyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 122265336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).