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

C18H23N3O3S — CID 126787693

IUPACN-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cccc(-c2nc(C3CCCC3)no2)c1
InChIInChI=1S/C18H23N3O3S/c22-25(23,21-15-9-3-4-10-15)16-11-5-8-14(12-16)18-19-17(20-24-18)13-6-1-2-7-13/h5,8,11-13,15,21H,1-4,6-7,9-10H2
InChIKeyOVEIDIIITJHOGR-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.62
Rot. Bonds5

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

N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (PubChem CID 126787693) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
PubChem CID126787693
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCCC1)c1cccc(-c2nc(C3CCCC3)no2)c1
InChIInChI=1S/C18H23N3O3S/c22-25(23,21-15-9-3-4-10-15)16-11-5-8-14(12-16)18-19-17(20-24-18)13-6-1-2-7-13/h5,8,11-13,15,21H,1-4,6-7,9-10H2
InChIKeyOVEIDIIITJHOGR-UHFFFAOYSA-N
XLogP3.62
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
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-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide (CID 126787693) is N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is O=S(=O)(NC1CCCC1)c1cccc(-c2nc(C3CCCC3)no2)c1.
What is the InChIKey of N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
The InChIKey is OVEIDIIITJHOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c22-25(23,21-15-9-3-4-10-15)16-11-5-8-14(12-16)18-19-17(20-24-18)13-6-1-2-7-13/h5,8,11-13,15,21H,1-4,6-7,9-10H2.
What are the key properties of N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide?
N-cyclopentyl-3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide has a molecular weight of 361.47 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-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 126787693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).