N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

C14H15N7O3S2 — CID 166179481

IUPACN-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C1NCCN1CCn1cc(NS(=O)(=O)c2cccc3nsnc23)cn1
InChIInChI=1S/C14H15N7O3S2/c22-14-15-4-5-20(14)6-7-21-9-10(8-16-21)19-26(23,24)12-3-1-2-11-13(12)18-25-17-11/h1-3,8-9,19H,4-7H2,(H,15,22)
InChIKeySHQGALXWBLYIDT-UHFFFAOYSA-N
MW393.45 g/mol
LogP0.71
Rot. Bonds6

About N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 166179481) has the molecular formula C14H15N7O3S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID166179481
Molecular FormulaC14H15N7O3S2
Molecular Weight393.45 g/mol
Exact Mass393.07
IUPAC NameN-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C1NCCN1CCn1cc(NS(=O)(=O)c2cccc3nsnc23)cn1
InChIInChI=1S/C14H15N7O3S2/c22-14-15-4-5-20(14)6-7-21-9-10(8-16-21)19-26(23,24)12-3-1-2-11-13(12)18-25-17-11/h1-3,8-9,19H,4-7H2,(H,15,22)
InChIKeySHQGALXWBLYIDT-UHFFFAOYSA-N
XLogP0.71
TPSA122.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2,1,3-benzothiadiazol-4-yl)-3-[2-(2-oxoimidazolidin-1-yl)ethyl]urea
CID 72882799
N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 61394195
N-(4-propan-2-ylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22773871
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
N-(pyrrolidin-2-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 62542530
N-(1-ethyl-3-methylpyrazol-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22209256
N-[4-[(6-pyrazol-1-ylpyridazin-3-yl)amino]phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122292202
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
4-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-methylpiperazin-2-one
CID 63362936
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 122357003
N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22775212
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206907

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 166179481) is N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide is O=C1NCCN1CCn1cc(NS(=O)(=O)c2cccc3nsnc23)cn1.
What is the InChIKey of N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is SHQGALXWBLYIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O3S2/c22-14-15-4-5-20(14)6-7-21-9-10(8-16-21)19-26(23,24)12-3-1-2-11-13(12)18-25-17-11/h1-3,8-9,19H,4-7H2,(H,15,22).
What are the key properties of N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 393.45 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrazol-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 166179481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).