N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide

C9H7N5O2S2 — CID 61394195

IUPACN-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1cccc2nsnc12
InChIInChI=1S/C9H7N5O2S2/c15-18(16,14-8-4-5-10-11-8)7-3-1-2-6-9(7)13-17-12-6/h1-5H,(H2,10,11,14)
InChIKeyIXXXVOMGEMPSDY-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.22
Rot. Bonds3

About N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 61394195) has the molecular formula C9H7N5O2S2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID61394195
Molecular FormulaC9H7N5O2S2
Molecular Weight281.32 g/mol
Exact Mass281.00
IUPAC NameN-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccn[nH]1)c1cccc2nsnc12
InChIInChI=1S/C9H7N5O2S2/c15-18(16,14-8-4-5-10-11-8)7-3-1-2-6-9(7)13-17-12-6/h1-5H,(H2,10,11,14)
InChIKeyIXXXVOMGEMPSDY-UHFFFAOYSA-N
XLogP1.22
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 61394195) is N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(Nc1ccn[nH]1)c1cccc2nsnc12.
What is the InChIKey of N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is IXXXVOMGEMPSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N5O2S2/c15-18(16,14-8-4-5-10-11-8)7-3-1-2-6-9(7)13-17-12-6/h1-5H,(H2,10,11,14).
What are the key properties of N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 281.32 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 61394195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).