N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

C21H22FN3O3S — CID 7680674

IUPACN-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C21H22FN3O3S/c22-17-11-13-19(14-12-17)29(26,27)25(18-9-5-2-6-10-18)15-20-23-21(24-28-20)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2
InChIKeyLZGRUFDZUMBYJJ-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.40
Rot. Bonds6

About N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide

N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (PubChem CID 7680674) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
PubChem CID7680674
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC NameN-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
InChIInChI=1S/C21H22FN3O3S/c22-17-11-13-19(14-12-17)29(26,27)25(18-9-5-2-6-10-18)15-20-23-21(24-28-20)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2
InChIKeyLZGRUFDZUMBYJJ-UHFFFAOYSA-N
XLogP4.40
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide (CID 7680674) is N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
The InChIKey is LZGRUFDZUMBYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c22-17-11-13-19(14-12-17)29(26,27)25(18-9-5-2-6-10-18)15-20-23-21(24-28-20)16-7-3-1-4-8-16/h1,3-4,7-8,11-14,18H,2,5-6,9-10,15H2.
What are the key properties of N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide?
N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide has a molecular weight of 415.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-fluoro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 7680674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).