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

C19H19N3O3S — CID 1310053

IUPACN-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O3S/c23-26(24,22-16-10-4-5-11-16)17-12-6-9-15(13-17)19-21-20-18(25-19)14-7-2-1-3-8-14/h1-3,6-9,12-13,16,22H,4-5,10-11H2
InChIKeyGDNWJTQRNRDNQI-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.62
Rot. Bonds5

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

N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (PubChem CID 1310053) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
PubChem CID1310053
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C19H19N3O3S/c23-26(24,22-16-10-4-5-11-16)17-12-6-9-15(13-17)19-21-20-18(25-19)14-7-2-1-3-8-14/h1-3,6-9,12-13,16,22H,4-5,10-11H2
InChIKeyGDNWJTQRNRDNQI-UHFFFAOYSA-N
XLogP3.62
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide (CID 1310053) is N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is O=S(=O)(NC1CCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
The InChIKey is GDNWJTQRNRDNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,22-16-10-4-5-11-16)17-12-6-9-15(13-17)19-21-20-18(25-19)14-7-2-1-3-8-14/h1-3,6-9,12-13,16,22H,4-5,10-11H2.
What are the key properties of N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide?
N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 1310053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).