CID 6327779

C6H10NO4SSb — CID 6327779

IUPAC—
SMILESNS(=O)(=O)c1ccc([Sb])cc1.O.O
InChIInChI=1S/C6H6NO2S.2H2O.Sb/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H2,7,8,9);2*1H2;
InChIKeyLPGBTDWODOXAPY-UHFFFAOYSA-N
MW313.98 g/mol
LogP-2.52
Rot. Bonds1

About CID 6327779

CID 6327779 (PubChem CID 6327779) has the molecular formula C6H10NO4SSb and a molecular weight of 313.98 g/mol.

Molecular Properties

Compound NameCID 6327779
PubChem CID6327779
Molecular FormulaC6H10NO4SSb
Molecular Weight313.98 g/mol
Exact Mass312.94
IUPAC Name—
SMILESNS(=O)(=O)c1ccc([Sb])cc1.O.O
InChIInChI=1S/C6H6NO2S.2H2O.Sb/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H2,7,8,9);2*1H2;
InChIKeyLPGBTDWODOXAPY-UHFFFAOYSA-N
XLogP-2.52
TPSA123.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.98
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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sodium;4-aminobenzenesulfonamide;hydride
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CID 143929211
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CID 159574204
4-aminobenzenesulfonamide;azanylidyneazanium
CID 21219865
4-(2-cyanoacetyl)benzenesulfonamide
CID 91621751
4-(4-hydroxyphenyl)sulfanylbenzenesulfonamide
CID 54911444
4-sulfamoylbenzoyl iodide
CID 88945846

Frequently Asked Questions

What is the IUPAC name of CID 6327779?
The IUPAC name of CID 6327779 (CID 6327779) is not available.
What is the SMILES notation for CID 6327779?
The canonical SMILES for CID 6327779 is NS(=O)(=O)c1ccc([Sb])cc1.O.O.
What is the InChIKey of CID 6327779?
The InChIKey is LPGBTDWODOXAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO2S.2H2O.Sb/c7-10(8,9)6-4-2-1-3-5-6;;;/h2-5H,(H2,7,8,9);2*1H2;.
What are the key properties of CID 6327779?
CID 6327779 has a molecular weight of 313.98 g/mol, XLogP of -2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6327779 is sourced from PubChem (CID 6327779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).