N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide

C11H10FN3O2S2 — CID 3590275

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)s1)c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2S2/c12-8-3-5-9(6-4-8)19(16,17)15-11-14-13-10(18-11)7-1-2-7/h3-7H,1-2H2,(H,14,15)
InChIKeyISMDWFPNPSGYNG-UHFFFAOYSA-N
MW299.35 g/mol
LogP2.36
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 3590275) has the molecular formula C11H10FN3O2S2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID3590275
Molecular FormulaC11H10FN3O2S2
Molecular Weight299.35 g/mol
Exact Mass299.02
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CC2)s1)c1ccc(F)cc1
InChIInChI=1S/C11H10FN3O2S2/c12-8-3-5-9(6-4-8)19(16,17)15-11-14-13-10(18-11)7-1-2-7/h3-7H,1-2H2,(H,14,15)
InChIKeyISMDWFPNPSGYNG-UHFFFAOYSA-N
XLogP2.36
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24647554
4-fluoro-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 787282
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methanesulfonamide
CID 35280994
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-sulfonamide
CID 167789540
4-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]cyclohexyl]benzenesulfonamide
CID 2975212
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
1-N-[5-[1-(4-chloro-2-fluorophenyl)piperidin-4-yl]-1,3,4-thiadiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 165388884
4-fluoro-N-[5-(1-phenylcyclopropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 119047604
4-fluoro-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 1451440
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 167983764
5-cyclopropyl-N-methyl-1,3,4-thiadiazol-2-amine
CID 58313047
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (CID 3590275) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nnc(C2CC2)s1)c1ccc(F)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is ISMDWFPNPSGYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2S2/c12-8-3-5-9(6-4-8)19(16,17)15-11-14-13-10(18-11)7-1-2-7/h3-7H,1-2H2,(H,14,15).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 299.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 3590275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).