sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride

C7H7N2NaO6S — CID 173084688

IUPACsodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H6N2O6S.Na.H/c8-7(10)5-2-1-4(9(11)12)3-6(5)16(13,14)15;;/h1-3H,(H2,8,10)(H,13,14,15);;/q;+1;-1
InChIKeyGMOLZZQRJBRVLC-UHFFFAOYSA-N
MW270.20 g/mol
LogP-2.94
Rot. Bonds3

About sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride

sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride (PubChem CID 173084688) has the molecular formula C7H7N2NaO6S and a molecular weight of 270.20 g/mol. Its IUPAC name is sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride.

Molecular Properties

Compound Namesodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride
PubChem CID173084688
Molecular FormulaC7H7N2NaO6S
Molecular Weight270.20 g/mol
Exact Mass269.99
IUPAC Namesodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride
SMILESNC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C7H6N2O6S.Na.H/c8-7(10)5-2-1-4(9(11)12)3-6(5)16(13,14)15;;/h1-3H,(H2,8,10)(H,13,14,15);;/q;+1;-1
InChIKeyGMOLZZQRJBRVLC-UHFFFAOYSA-N
XLogP-2.94
TPSA140.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-2.94
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

sodium;hydride;4-nitro-2-sulfobenzoic acid
CID 173234399
2-methylperoxycarbonyl-5-nitrobenzenesulfonic acid
CID 54052650
sodium 2-methyl-5-nitrobenzenesulfonic acid
CID 23718308
sodium;2-chloro-4-nitrobenzenesulfonic acid;hydride
CID 173278342
2-ethyl-4-nitrobenzamide
CID 22004501
sodium 5-nitro-2-[2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonate
CID 154734921
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
2,5-dinitrobenzenesulfonic acid;sulfurochloridic acid
CID 89253341
2-aminooxy-5-nitrobenzamide
CID 79421918
CID 131878573
CID 131878573
sodium;2-amino-5-nitrobenzenesulfonate;azane
CID 173065886
2-methyl-4-nitrobenzenesulfonic acid;hydrochloride
CID 88842241

Frequently Asked Questions

What is the IUPAC name of sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride?
The IUPAC name of sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride (CID 173084688) is sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride.
What is the SMILES notation for sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride?
The canonical SMILES for sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride is NC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride?
The InChIKey is GMOLZZQRJBRVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O6S.Na.H/c8-7(10)5-2-1-4(9(11)12)3-6(5)16(13,14)15;;/h1-3H,(H2,8,10)(H,13,14,15);;/q;+1;-1.
What are the key properties of sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride?
sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride has a molecular weight of 270.20 g/mol, XLogP of -2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-carbamoyl-5-nitrobenzenesulfonic acid;hydride is sourced from PubChem (CID 173084688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).