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

C13H17N3O2S2 — CID 3414696

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-5-10-6-8-11(9-7-10)20(17,18)16-13-15-14-12(4-2)19-13/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyOBDQWFSGZMFJJM-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.85
Rot. Bonds6

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide (PubChem CID 3414696) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
PubChem CID3414696
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1
InChIInChI=1S/C13H17N3O2S2/c1-3-5-10-6-8-11(9-7-10)20(17,18)16-13-15-14-12(4-2)19-13/h6-9H,3-5H2,1-2H3,(H,15,16)
InChIKeyOBDQWFSGZMFJJM-UHFFFAOYSA-N
XLogP2.85
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
N-[5-(2-oxo-2-piperidin-1-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10216285
N-[5-(2-oxo-2-thiomorpholin-4-ylethyl)-1,3,4-thiadiazol-2-yl]-4-propylbenzenesulfonamide
CID 10224344
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methoxyethylsulfonylamino)benzenesulfonamide
CID 100668013
4-cyclohexyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 35539079
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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-phenylethanesulfonamide
CID 75379098
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-(ethylaminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrrole-3-sulfonamide
CID 106089796

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide (CID 3414696) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide?
The InChIKey is OBDQWFSGZMFJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-3-5-10-6-8-11(9-7-10)20(17,18)16-13-15-14-12(4-2)19-13/h6-9H,3-5H2,1-2H3,(H,15,16).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide has a molecular weight of 311.43 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 3414696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).