sodium benzenesulfonyl(pyridin-2-yl)azanide

C11H9N2NaO2S — CID 88642249

IUPACsodium benzenesulfonyl(pyridin-2-yl)azanide
SMILESO=S(=O)([N-]c1ccccn1)c1ccccc1.[Na+]
InChIInChI=1S/C11H9N2O2S.Na/c14-16(15,10-6-2-1-3-7-10)13-11-8-4-5-9-12-11;/h1-9H;/q-1;+1
InChIKeySPTYRCGSBRYPPR-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.52
Rot. Bonds3

About sodium benzenesulfonyl(pyridin-2-yl)azanide

sodium benzenesulfonyl(pyridin-2-yl)azanide (PubChem CID 88642249) has the molecular formula C11H9N2NaO2S and a molecular weight of 256.26 g/mol. Its IUPAC name is sodium benzenesulfonyl(pyridin-2-yl)azanide.

Molecular Properties

Compound Namesodium benzenesulfonyl(pyridin-2-yl)azanide
PubChem CID88642249
Molecular FormulaC11H9N2NaO2S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Namesodium benzenesulfonyl(pyridin-2-yl)azanide
SMILESO=S(=O)([N-]c1ccccn1)c1ccccc1.[Na+]
InChIInChI=1S/C11H9N2O2S.Na/c14-16(15,10-6-2-1-3-7-10)13-11-8-4-5-9-12-11;/h1-9H;/q-1;+1
InChIKeySPTYRCGSBRYPPR-UHFFFAOYSA-N
XLogP-0.52
TPSA61.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)sulfonyl-pyridin-2-ylazanide;piperidin-1-ium
CID 139061231
[4-[[2-(2,3,4,5,6-pentachlorophenoxy)acetyl]amino]phenyl]sulfonyl-pyridin-2-ylazanide
CID 4052450
sodium (4-aminophenyl)sulfonyl-pyrimidin-2-ylazanide
CID 15899898
tris(dichloromethane);bis(dipyridin-2-ylazanide);bis((4-methylphenyl)sulfonyl-[6-(4-methylphenyl)sulfonylazanidyl-2-pyridinyl]azanide);bis(nickel(2+));nickel(3+);tetrafluoroborate
CID 139152974
hexakis(dipyridin-2-ylazanide);bis(lanthanum(3+))
CID 139175842
sodium;pyridine-2-carboxylic acid;hydroxide
CID 162223571
(triphenyl-λ4-sulfanyl) pyridine-2-carboxylate
CID 140714321
gadolinium;pyridine-2-carboxylic acid
CID 175231422
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
pyridine-2-carboxylic acid;tungsten
CID 88770661

Frequently Asked Questions

What is the IUPAC name of sodium benzenesulfonyl(pyridin-2-yl)azanide?
The IUPAC name of sodium benzenesulfonyl(pyridin-2-yl)azanide (CID 88642249) is sodium benzenesulfonyl(pyridin-2-yl)azanide.
What is the SMILES notation for sodium benzenesulfonyl(pyridin-2-yl)azanide?
The canonical SMILES for sodium benzenesulfonyl(pyridin-2-yl)azanide is O=S(=O)([N-]c1ccccn1)c1ccccc1.[Na+].
What is the InChIKey of sodium benzenesulfonyl(pyridin-2-yl)azanide?
The InChIKey is SPTYRCGSBRYPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2O2S.Na/c14-16(15,10-6-2-1-3-7-10)13-11-8-4-5-9-12-11;/h1-9H;/q-1;+1.
What are the key properties of sodium benzenesulfonyl(pyridin-2-yl)azanide?
sodium benzenesulfonyl(pyridin-2-yl)azanide has a molecular weight of 256.26 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium benzenesulfonyl(pyridin-2-yl)azanide is sourced from PubChem (CID 88642249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).