sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide

C8H11N2NaO5S2 — CID 88679243

IUPACsodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide
SMILESCN(C)S(=O)(=O)Oc1ccccc1S([NH-])(=O)=O.[Na+]
InChIInChI=1S/C8H11N2O5S2.Na/c1-10(2)17(13,14)15-7-5-3-4-6-8(7)16(9,11)12;/h3-6H,1-2H3,(H-,9,11,12);/q-1;+1
InChIKeyURJBTWVGKHVRBL-UHFFFAOYSA-N
MW302.31 g/mol
LogP-2.38
Rot. Bonds4

About sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide

sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide (PubChem CID 88679243) has the molecular formula C8H11N2NaO5S2 and a molecular weight of 302.31 g/mol. Its IUPAC name is sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide.

Molecular Properties

Compound Namesodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide
PubChem CID88679243
Molecular FormulaC8H11N2NaO5S2
Molecular Weight302.31 g/mol
Exact Mass302.00
IUPAC Namesodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide
SMILESCN(C)S(=O)(=O)Oc1ccccc1S([NH-])(=O)=O.[Na+]
InChIInChI=1S/C8H11N2O5S2.Na/c1-10(2)17(13,14)15-7-5-3-4-6-8(7)16(9,11)12;/h3-6H,1-2H3,(H-,9,11,12);/q-1;+1
InChIKeyURJBTWVGKHVRBL-UHFFFAOYSA-N
XLogP-2.38
TPSA104.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-2.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-hydroxyphenyl) N,N-dimethylsulfamate
CID 86147551
(2,6-dimethoxyphenyl) N,N-dimethylsulfamate
CID 177459902
[2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]phenyl] N,N-dimethylsulfamate
CID 13473132
[2-[[4-(dimethylamino)phenyl]methylideneamino]phenyl] N,N-dimethylsulfamate
CID 124926749
2-methylsulfonyloxybenzenesulfonic acid
CID 14317974
(3-tert-butylphenyl) N,N-dimethylsulfamate
CID 23557573
2-phenylpropan-2-yl N,N-dimethylsulfamate
CID 54182961
(2-hydroxyphenyl) methanesulfonate
CID 13248339
(2-ethylsulfonylphenyl) 2-methylbenzenesulfonate
CID 91228094
sodium;hydride;2-(2-sulfophenoxy)benzenesulfonic acid
CID 175093945
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
[2-[1-(dimethylamino)ethyl]phenyl] 4-methylbenzenesulfonate
CID 23034325

Frequently Asked Questions

What is the IUPAC name of sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide?
The IUPAC name of sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide (CID 88679243) is sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide.
What is the SMILES notation for sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide?
The canonical SMILES for sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide is CN(C)S(=O)(=O)Oc1ccccc1S([NH-])(=O)=O.[Na+].
What is the InChIKey of sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide?
The InChIKey is URJBTWVGKHVRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2O5S2.Na/c1-10(2)17(13,14)15-7-5-3-4-6-8(7)16(9,11)12;/h3-6H,1-2H3,(H-,9,11,12);/q-1;+1.
What are the key properties of sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide?
sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide has a molecular weight of 302.31 g/mol, XLogP of -2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [2-(dimethylsulfamoyloxy)phenyl]sulfonylazanide is sourced from PubChem (CID 88679243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).