sodium chloro-(4-methylphenyl)sulfonylazanide

C7H7ClNNaO2S — CID 3641960

IUPACsodium chloro-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+]
InChIInChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
InChIKeyVDQQXEISLMTGAB-UHFFFAOYSA-N
MW227.65 g/mol
LogP-0.78
Rot. Bonds2

About sodium chloro-(4-methylphenyl)sulfonylazanide

sodium chloro-(4-methylphenyl)sulfonylazanide (PubChem CID 3641960) has the molecular formula C7H7ClNNaO2S and a molecular weight of 227.65 g/mol. Its IUPAC name is sodium chloro-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium chloro-(4-methylphenyl)sulfonylazanide
PubChem CID3641960
Molecular FormulaC7H7ClNNaO2S
Molecular Weight227.65 g/mol
Exact Mass226.98
IUPAC Namesodium chloro-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+]
InChIInChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1
InChIKeyVDQQXEISLMTGAB-UHFFFAOYSA-N
XLogP-0.78
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.65
LogP ≤ 5-0.78
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?
The IUPAC name of sodium chloro-(4-methylphenyl)sulfonylazanide (CID 3641960) is sodium chloro-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for sodium chloro-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for sodium chloro-(4-methylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-]Cl)cc1.[Na+].
What is the InChIKey of sodium chloro-(4-methylphenyl)sulfonylazanide?
The InChIKey is VDQQXEISLMTGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClNO2S.Na/c1-6-2-4-7(5-3-6)12(10,11)9-8;/h2-5H,1H3;/q-1;+1.
What are the key properties of sodium chloro-(4-methylphenyl)sulfonylazanide?
sodium chloro-(4-methylphenyl)sulfonylazanide has a molecular weight of 227.65 g/mol, XLogP of -0.78, 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 is sourced from PubChem (CID 3641960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).