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

C14H16FN3O2S2 — CID 846181

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2S2/c15-11-6-8-12(9-7-11)22(19,20)18-14-17-16-13(21-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,18)
InChIKeyNRMLKQSKIUWFMJ-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.53
Rot. Bonds4

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

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 846181) has the molecular formula C14H16FN3O2S2 and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
PubChem CID846181
Molecular FormulaC14H16FN3O2S2
Molecular Weight341.43 g/mol
Exact Mass341.07
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O2S2/c15-11-6-8-12(9-7-11)22(19,20)18-14-17-16-13(21-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,18)
InChIKeyNRMLKQSKIUWFMJ-UHFFFAOYSA-N
XLogP3.53
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide (CID 846181) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1nnc(C2CCCCC2)s1)c1ccc(F)cc1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is NRMLKQSKIUWFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S2/c15-11-6-8-12(9-7-11)22(19,20)18-14-17-16-13(21-14)10-4-2-1-3-5-10/h6-10H,1-5H2,(H,17,18).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 341.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 846181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).