sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate

C7H13ClNNaO5S — CID 517414

IUPACsodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.O.O.O.[Na+]
InChIInChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
InChIKeyNZYOAGBNMCVQIV-UHFFFAOYSA-N
MW281.69 g/mol
LogP-3.26
Rot. Bonds2

About sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate

sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate (PubChem CID 517414) has the molecular formula C7H13ClNNaO5S and a molecular weight of 281.69 g/mol. Its IUPAC name is sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate.

Molecular Properties

Compound Namesodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate
PubChem CID517414
Molecular FormulaC7H13ClNNaO5S
Molecular Weight281.69 g/mol
Exact Mass281.01
IUPAC Namesodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.O.O.O.[Na+]
InChIInChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
InChIKeyNZYOAGBNMCVQIV-UHFFFAOYSA-N
XLogP-3.26
TPSA142.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.69
LogP ≤ 5-3.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate?
The IUPAC name of sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate (CID 517414) is sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate.
What is the SMILES notation for sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate?
The canonical SMILES for sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate is Cc1ccc(S(=O)(=O)[N-]Cl)cc1.O.O.O.[Na+].
What is the InChIKey of sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate?
The InChIKey is NZYOAGBNMCVQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;.
What are the key properties of sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate?
sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate has a molecular weight of 281.69 g/mol, XLogP of -3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate is sourced from PubChem (CID 517414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).