N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide

C20H21N3O3S — CID 1279674

IUPACN-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H21N3O3S/c24-27(25,23-17-11-5-2-6-12-17)18-13-7-10-16(14-18)20-22-21-19(26-20)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17,23H,2,5-6,11-12H2
InChIKeyYAWISMKQAPRZFW-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds5

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

N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 1279674) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID1279674
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C20H21N3O3S/c24-27(25,23-17-11-5-2-6-12-17)18-13-7-10-16(14-18)20-22-21-19(26-20)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17,23H,2,5-6,11-12H2
InChIKeyYAWISMKQAPRZFW-UHFFFAOYSA-N
XLogP4.01
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 1279674) is N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is O=S(=O)(NC1CCCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is YAWISMKQAPRZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-27(25,23-17-11-5-2-6-12-17)18-13-7-10-16(14-18)20-22-21-19(26-20)15-8-3-1-4-9-15/h1,3-4,7-10,13-14,17,23H,2,5-6,11-12H2.
What are the key properties of N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1279674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).