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

C12H15N3O2S2 — CID 25041652

IUPAC4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-3-9-5-7-10(8-6-9)19(16,17)15-12-14-13-11(4-2)18-12/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyDJUCDCYGNMRKPV-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.46
Rot. Bonds5

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

4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 25041652) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID25041652
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C12H15N3O2S2/c1-3-9-5-7-10(8-6-9)19(16,17)15-12-14-13-11(4-2)18-12/h5-8H,3-4H2,1-2H3,(H,14,15)
InChIKeyDJUCDCYGNMRKPV-UHFFFAOYSA-N
XLogP2.46
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 100668013
N-[4-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]-2,2,2-trifluoroacetamide
CID 1244336
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 20983487
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzenesulfonamide
CID 5179184
5-[(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamoyl]pyridine-2-carbothioamide
CID 107642048
N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 3383419
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 107642106
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 107642974
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 103740820

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 25041652) is 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1.
What is the InChIKey of 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is DJUCDCYGNMRKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-3-9-5-7-10(8-6-9)19(16,17)15-12-14-13-11(4-2)18-12/h5-8H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 25041652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).