5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide

C9H8N4O4S — CID 175751809

IUPAC5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1ccn[nH]1
InChIInChI=1S/C9H8N4O4S/c10-18(16,17)9-5-6(13(14)15)1-2-7(9)8-3-4-11-12-8/h1-5H,(H,11,12)(H2,10,16,17)
InChIKeyTUKXYNBBEZPVQX-UHFFFAOYSA-N
MW268.25 g/mol
LogP0.63
Rot. Bonds3

About 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide

5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 175751809) has the molecular formula C9H8N4O4S and a molecular weight of 268.25 g/mol. Its IUPAC name is 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID175751809
Molecular FormulaC9H8N4O4S
Molecular Weight268.25 g/mol
Exact Mass268.03
IUPAC Name5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1ccn[nH]1
InChIInChI=1S/C9H8N4O4S/c10-18(16,17)9-5-6(13(14)15)1-2-7(9)8-3-4-11-12-8/h1-5H,(H,11,12)(H2,10,16,17)
InChIKeyTUKXYNBBEZPVQX-UHFFFAOYSA-N
XLogP0.63
TPSA131.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-2-pyridin-4-ylbenzenesulfonamide
CID 175942276
2-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 154684688
2-methyl-5-nitrobenzenesulfonamide;2-methyl-5-nitrobenzenesulfonyl chloride
CID 159304937
4-(1H-pyrazol-5-yl)-1H-pyrazole-5-sulfonamide
CID 153371805
(2,4-dinitrophenyl)sulfonylazanide;yttrium
CID 58710597
2-(methylamino)-4-nitrobenzenesulfonamide
CID 62144576
2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-nitrobenzenesulfonamide
CID 138559435
2-[(3,5-dimethylpyrazolidin-4-yl)methylamino]-5-nitrobenzenesulfonamide
CID 133306085
2-(2-bromoethyl)-4-nitrobenzenesulfonamide
CID 150508996
5-(2-bromo-4-nitrophenyl)-1H-1,2,4-triazol-3-amine
CID 169499742
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
2-(4-methylpentoxy)-5-nitrobenzenesulfonamide
CID 83157782

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide (CID 175751809) is 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cc([N+](=O)[O-])ccc1-c1ccn[nH]1.
What is the InChIKey of 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is TUKXYNBBEZPVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O4S/c10-18(16,17)9-5-6(13(14)15)1-2-7(9)8-3-4-11-12-8/h1-5H,(H,11,12)(H2,10,16,17).
What are the key properties of 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide?
5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 268.25 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 175751809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).