N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide

C17H21N3O3S — CID 99818745

IUPACN-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-4-8-14(9-5-12)24(21,22)20-17(10-2-3-11-17)16-18-15(23-19-16)13-6-7-13/h4-5,8-9,13,20H,2-3,6-7,10-11H2,1H3
InChIKeyQEWWIRBBZAPIQS-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide

N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide (PubChem CID 99818745) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide
PubChem CID99818745
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC NameN-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1
InChIInChI=1S/C17H21N3O3S/c1-12-4-8-14(9-5-12)24(21,22)20-17(10-2-3-11-17)16-18-15(23-19-16)13-6-7-13/h4-5,8-9,13,20H,2-3,6-7,10-11H2,1H3
InChIKeyQEWWIRBBZAPIQS-UHFFFAOYSA-N
XLogP3.00
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide (CID 99818745) is N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2(c3noc(C4CC4)n3)CCCC2)cc1.
What is the InChIKey of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide?
The InChIKey is QEWWIRBBZAPIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-4-8-14(9-5-12)24(21,22)20-17(10-2-3-11-17)16-18-15(23-19-16)13-6-7-13/h4-5,8-9,13,20H,2-3,6-7,10-11H2,1H3.
What are the key properties of N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide?
N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 99818745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).