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

C10H11N3O2S2 — CID 805923

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H11N3O2S2/c1-2-9-11-12-10(16-9)13-17(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeySUVDTOPYLBFRLE-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.90
Rot. Bonds4

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

N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 805923) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID805923
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2ccccc2)s1
InChIInChI=1S/C10H11N3O2S2/c1-2-9-11-12-10(16-9)13-17(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13)
InChIKeySUVDTOPYLBFRLE-UHFFFAOYSA-N
XLogP1.90
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Glybuzole
CID 3489
Benzolamide
CID 18794
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methylbenzenesulfonamide
CID 777661
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
CID 846181
4-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 2059558
p-Toluenesulfonamide, N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-
CID 97034
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-methylbenzenesulfonamide
CID 769155
N-(5-Propyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
CID 805926
N-(5-Phenethyl-[1,3,4]thiadiazol-2-yl)-methanesulfonamide
CID 1094110
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-fluorobenzenesulfonamide
CID 656064
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylmethanesulfonamide
CID 795491

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 805923) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2ccccc2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is SUVDTOPYLBFRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c1-2-9-11-12-10(16-9)13-17(14,15)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.90, 4 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)benzenesulfonamide is sourced from PubChem (CID 805923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).