sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide

C11H9N2NaO4S2 — CID 70697286

IUPACsodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide
SMILESCS(=O)(=O)c1cnc([N-]C(=O)c2ccccc2O)s1.[Na+]
InChIInChI=1S/C11H10N2O4S2.Na/c1-19(16,17)9-6-12-11(18-9)13-10(15)7-4-2-3-5-8(7)14;/h2-6H,1H3,(H2,12,13,14,15);/q;+1/p-1
InChIKeyASJMAYMGRVZHNB-UHFFFAOYSA-M
MW320.33 g/mol
LogP-0.90
Rot. Bonds3

About sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide

sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide (PubChem CID 70697286) has the molecular formula C11H9N2NaO4S2 and a molecular weight of 320.33 g/mol. Its IUPAC name is sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Namesodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide
PubChem CID70697286
Molecular FormulaC11H9N2NaO4S2
Molecular Weight320.33 g/mol
Exact Mass319.99
IUPAC Namesodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide
SMILESCS(=O)(=O)c1cnc([N-]C(=O)c2ccccc2O)s1.[Na+]
InChIInChI=1S/C11H10N2O4S2.Na/c1-19(16,17)9-6-12-11(18-9)13-10(15)7-4-2-3-5-8(7)14;/h2-6H,1H3,(H2,12,13,14,15);/q;+1/p-1
InChIKeyASJMAYMGRVZHNB-UHFFFAOYSA-M
XLogP-0.90
TPSA98.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide?
The IUPAC name of sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide (CID 70697286) is sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide.
What is the SMILES notation for sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide?
The canonical SMILES for sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide is CS(=O)(=O)c1cnc([N-]C(=O)c2ccccc2O)s1.[Na+].
What is the InChIKey of sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide?
The InChIKey is ASJMAYMGRVZHNB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H10N2O4S2.Na/c1-19(16,17)9-6-12-11(18-9)13-10(15)7-4-2-3-5-8(7)14;/h2-6H,1H3,(H2,12,13,14,15);/q;+1/p-1.
What are the key properties of sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide?
sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide has a molecular weight of 320.33 g/mol, XLogP of -0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (2-hydroxybenzoyl)-(5-methylsulfonyl-1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 70697286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).