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

C10H13N4NaO2S2 — CID 3083738

IUPACsodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
SMILESCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.[H-].[Na+]
InChIInChI=1S/C10H12N4O2S2.Na.H/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;-1
InChIKeyZTHPKFOZCKKHDE-UHFFFAOYSA-N
MW308.36 g/mol
LogP-1.40
Rot. Bonds4

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

sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride (PubChem CID 3083738) has the molecular formula C10H13N4NaO2S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride.

Molecular Properties

Compound Namesodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
PubChem CID3083738
Molecular FormulaC10H13N4NaO2S2
Molecular Weight308.36 g/mol
Exact Mass308.04
IUPAC Namesodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
SMILESCCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.[H-].[Na+]
InChIInChI=1S/C10H12N4O2S2.Na.H/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;-1
InChIKeyZTHPKFOZCKKHDE-UHFFFAOYSA-N
XLogP-1.40
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 107642974
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 107642048
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 100668013
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 106089691
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 107641359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzenesulfonamide
CID 5179184
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,5-dimethylbenzenesulfonamide
CID 107641384

Frequently Asked Questions

What is the IUPAC name of sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride?
The IUPAC name of sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride (CID 3083738) is sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride.
What is the SMILES notation for sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride?
The canonical SMILES for sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride is CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1.[H-].[Na+].
What is the InChIKey of sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride?
The InChIKey is ZTHPKFOZCKKHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2.Na.H/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;-1.
What are the key properties of sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride?
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride has a molecular weight of 308.36 g/mol, XLogP of -1.40, 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;hydride is sourced from PubChem (CID 3083738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).