sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C10H12N4NaO2S2+ — CID 23616379

IUPACsodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.[Na+]
InChIInChI=1S/C10H12N4O2S2.Na/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;/h3-6H,2,11H2,1H3,(H,13,14);/q;+1
InChIKeyRDBXEDPTJIKNAB-UHFFFAOYSA-N
MW307.36 g/mol
LogP-1.51
Rot. Bonds4

About sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide

sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 23616379) has the molecular formula C10H12N4NaO2S2+ and a molecular weight of 307.36 g/mol. Its IUPAC name is sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Namesodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID23616379
Molecular FormulaC10H12N4NaO2S2+
Molecular Weight307.36 g/mol
Exact Mass307.03
IUPAC Namesodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.[Na+]
InChIInChI=1S/C10H12N4O2S2.Na/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;/h3-6H,2,11H2,1H3,(H,13,14);/q;+1
InChIKeyRDBXEDPTJIKNAB-UHFFFAOYSA-N
XLogP-1.51
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 23616379) is sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.[Na+].
What is the InChIKey of sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is RDBXEDPTJIKNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2.Na/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8;/h3-6H,2,11H2,1H3,(H,13,14);/q;+1.
What are the key properties of sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 307.36 g/mol, XLogP of -1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 23616379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).