sodium;hydride;(4-sulfamoylanilino) acetate

C8H11N2NaO4S — CID 175057030

IUPACsodium;hydride;(4-sulfamoylanilino) acetate
SMILESCC(=O)ONc1ccc(S(N)(=O)=O)cc1.[H-].[Na+]
InChIInChI=1S/C8H10N2O4S.Na.H/c1-6(11)14-10-7-2-4-8(5-3-7)15(9,12)13;;/h2-5,10H,1H3,(H2,9,12,13);;/q;+1;-1
InChIKeyNLLMHDJFXMLKSY-UHFFFAOYSA-N
MW254.24 g/mol
LogP-2.66
Rot. Bonds3

About sodium;hydride;(4-sulfamoylanilino) acetate

sodium;hydride;(4-sulfamoylanilino) acetate (PubChem CID 175057030) has the molecular formula C8H11N2NaO4S and a molecular weight of 254.24 g/mol. Its IUPAC name is sodium;hydride;(4-sulfamoylanilino) acetate.

Molecular Properties

Compound Namesodium;hydride;(4-sulfamoylanilino) acetate
PubChem CID175057030
Molecular FormulaC8H11N2NaO4S
Molecular Weight254.24 g/mol
Exact Mass254.03
IUPAC Namesodium;hydride;(4-sulfamoylanilino) acetate
SMILESCC(=O)ONc1ccc(S(N)(=O)=O)cc1.[H-].[Na+]
InChIInChI=1S/C8H10N2O4S.Na.H/c1-6(11)14-10-7-2-4-8(5-3-7)15(9,12)13;;/h2-5,10H,1H3,(H2,9,12,13);;/q;+1;-1
InChIKeyNLLMHDJFXMLKSY-UHFFFAOYSA-N
XLogP-2.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-2.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(4-sulfamoylphenyl)carbamoylamino] 2-methylprop-2-enoate
CID 175278982
4-acetamido-N-(4-sulfamoylphenyl)benzamide
CID 766030
1-(4-ethoxyphenyl)-3-(4-sulfamoylphenyl)urea
CID 27870041
acetamide;4-aminobenzenesulfonamide
CID 175093651
N-[4-[(4-sulfamoylanilino)sulfamoyl]phenyl]acetamide
CID 3595344
2-methylpropyl N-(4-sulfamoylphenyl)carbamate
CID 18934427
methyl 4-oxo-4-(4-sulfamoylanilino)butanoate
CID 721949
2-methyl-3-(methylamino)-N-(4-sulfamoylphenyl)propanamide
CID 79195981
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
ethane;1-(4-sulfamoylphenyl)ethyl acetate
CID 143172857
(4-sulfamoylanilino)thiourea
CID 2826112
sodium;4-aminobenzenesulfonamide;hydride
CID 173094657

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(4-sulfamoylanilino) acetate?
The IUPAC name of sodium;hydride;(4-sulfamoylanilino) acetate (CID 175057030) is sodium;hydride;(4-sulfamoylanilino) acetate.
What is the SMILES notation for sodium;hydride;(4-sulfamoylanilino) acetate?
The canonical SMILES for sodium;hydride;(4-sulfamoylanilino) acetate is CC(=O)ONc1ccc(S(N)(=O)=O)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(4-sulfamoylanilino) acetate?
The InChIKey is NLLMHDJFXMLKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4S.Na.H/c1-6(11)14-10-7-2-4-8(5-3-7)15(9,12)13;;/h2-5,10H,1H3,(H2,9,12,13);;/q;+1;-1.
What are the key properties of sodium;hydride;(4-sulfamoylanilino) acetate?
sodium;hydride;(4-sulfamoylanilino) acetate has a molecular weight of 254.24 g/mol, XLogP of -2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(4-sulfamoylanilino) acetate is sourced from PubChem (CID 175057030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).