potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid

C14H10KN3O6S — CID 173335404

IUPACpotassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid
SMILESO=C(c1ccccc1S(=O)(=O)O)n1ncc2cc([N+](=O)[O-])ccc21.[H-].[K+]
InChIInChI=1S/C14H9N3O6S.K.H/c18-14(11-3-1-2-4-13(11)24(21,22)23)16-12-6-5-10(17(19)20)7-9(12)8-15-16;;/h1-8H,(H,21,22,23);;/q;+1;-1
InChIKeyUYYHBTQWKRRMHX-UHFFFAOYSA-N
MW387.41 g/mol
LogP-1.00
Rot. Bonds3

About potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid

potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid (PubChem CID 173335404) has the molecular formula C14H10KN3O6S and a molecular weight of 387.41 g/mol. Its IUPAC name is potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid
PubChem CID173335404
Molecular FormulaC14H10KN3O6S
Molecular Weight387.41 g/mol
Exact Mass386.99
IUPAC Namepotassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid
SMILESO=C(c1ccccc1S(=O)(=O)O)n1ncc2cc([N+](=O)[O-])ccc21.[H-].[K+]
InChIInChI=1S/C14H9N3O6S.K.H/c18-14(11-3-1-2-4-13(11)24(21,22)23)16-12-6-5-10(17(19)20)7-9(12)8-15-16;;/h1-8H,(H,21,22,23);;/q;+1;-1
InChIKeyUYYHBTQWKRRMHX-UHFFFAOYSA-N
XLogP-1.00
TPSA132.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

methane;methyl 5-nitroindazole-1-carboxylate
CID 175242538
tert-butyl 5-nitroindazole-1-carboxylate
CID 11499917
1-tert-butyl-5-nitroindazole
CID 15147634
sodium;hydride;4-nitro-2-sulfobenzoic acid
CID 173234399
N-[3-(5-nitroindazol-1-yl)propyl]pyridin-2-amine
CID 10518107
sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride
CID 173084688
tert-butyl N-[3-(5-nitroindazol-1-yl)propyl]carbamate
CID 172610258
methane;methyl 6-nitroindazole-1-carboxylate
CID 174489049
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(5-nitroindazol-1-yl)acetamide
CID 39975084
sodium;2-chloro-4-nitrobenzenesulfonic acid;hydride
CID 173278342
2-methylperoxycarbonyl-5-nitrobenzenesulfonic acid
CID 54052650
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid?
The IUPAC name of potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid (CID 173335404) is potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid.
What is the SMILES notation for potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid?
The canonical SMILES for potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid is O=C(c1ccccc1S(=O)(=O)O)n1ncc2cc([N+](=O)[O-])ccc21.[H-].[K+].
What is the InChIKey of potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid?
The InChIKey is UYYHBTQWKRRMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O6S.K.H/c18-14(11-3-1-2-4-13(11)24(21,22)23)16-12-6-5-10(17(19)20)7-9(12)8-15-16;;/h1-8H,(H,21,22,23);;/q;+1;-1.
What are the key properties of potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid?
potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid has a molecular weight of 387.41 g/mol, XLogP of -1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-(5-nitroindazole-1-carbonyl)benzenesulfonic acid is sourced from PubChem (CID 173335404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).