sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide

C11H12N3NaO2S2 — CID 23692298

IUPACsodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide
SMILESCCc1csc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+]
InChIInChI=1S/C11H12N3O2S2.Na/c1-2-9-7-17-11(13-9)14-18(15,16)10-5-3-8(12)4-6-10;/h3-7H,2,12H2,1H3;/q-1;+1
InChIKeyFRLNZMQBNCIHJM-UHFFFAOYSA-N
MW305.36 g/mol
LogP-0.31
Rot. Bonds4

About sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide

sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide (PubChem CID 23692298) has the molecular formula C11H12N3NaO2S2 and a molecular weight of 305.36 g/mol. Its IUPAC name is sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Namesodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide
PubChem CID23692298
Molecular FormulaC11H12N3NaO2S2
Molecular Weight305.36 g/mol
Exact Mass305.03
IUPAC Namesodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide
SMILESCCc1csc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+]
InChIInChI=1S/C11H12N3O2S2.Na/c1-2-9-7-17-11(13-9)14-18(15,16)10-5-3-8(12)4-6-10;/h3-7H,2,12H2,1H3;/q-1;+1
InChIKeyFRLNZMQBNCIHJM-UHFFFAOYSA-N
XLogP-0.31
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide?
The IUPAC name of sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide (CID 23692298) is sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide.
What is the SMILES notation for sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide?
The canonical SMILES for sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide is CCc1csc([N-]S(=O)(=O)c2ccc(N)cc2)n1.[Na+].
What is the InChIKey of sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide?
The InChIKey is FRLNZMQBNCIHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N3O2S2.Na/c1-2-9-7-17-11(13-9)14-18(15,16)10-5-3-8(12)4-6-10;/h3-7H,2,12H2,1H3;/q-1;+1.
What are the key properties of sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide?
sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide has a molecular weight of 305.36 g/mol, XLogP of -0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4-aminophenyl)sulfonyl-(4-ethyl-1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 23692298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).