sulfino N-phenylsulfamate

C6H7NO5S2 — CID 175492142

IUPACsulfino N-phenylsulfamate
SMILESO=S(O)OS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C6H7NO5S2/c8-13(9)12-14(10,11)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9)
InChIKeyPNTLGGMRVJUXEY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.50
Rot. Bonds4

About sulfino N-phenylsulfamate

sulfino N-phenylsulfamate (PubChem CID 175492142) has the molecular formula C6H7NO5S2 and a molecular weight of 237.26 g/mol. Its IUPAC name is sulfino N-phenylsulfamate.

Molecular Properties

Compound Namesulfino N-phenylsulfamate
PubChem CID175492142
Molecular FormulaC6H7NO5S2
Molecular Weight237.26 g/mol
Exact Mass236.98
IUPAC Namesulfino N-phenylsulfamate
SMILESO=S(O)OS(=O)(=O)Nc1ccccc1
InChIInChI=1S/C6H7NO5S2/c8-13(9)12-14(10,11)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9)
InChIKeyPNTLGGMRVJUXEY-UHFFFAOYSA-N
XLogP0.50
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sulfino N-phenylsulfamate?
The IUPAC name of sulfino N-phenylsulfamate (CID 175492142) is sulfino N-phenylsulfamate.
What is the SMILES notation for sulfino N-phenylsulfamate?
The canonical SMILES for sulfino N-phenylsulfamate is O=S(O)OS(=O)(=O)Nc1ccccc1.
What is the InChIKey of sulfino N-phenylsulfamate?
The InChIKey is PNTLGGMRVJUXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO5S2/c8-13(9)12-14(10,11)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9).
What are the key properties of sulfino N-phenylsulfamate?
sulfino N-phenylsulfamate has a molecular weight of 237.26 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfino N-phenylsulfamate is sourced from PubChem (CID 175492142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).