4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride

C17H25ClN4O3S — CID 120855787

IUPAC4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-3-21(4-2)25(22,23)14-9-7-13(8-10-14)15-19-16(20-24-15)17(18)11-5-6-12-17;/h7-10H,3-6,11-12,18H2,1-2H3;1H
InChIKeyHLMLXNGSNLHQCX-UHFFFAOYSA-N
MW400.93 g/mol
LogP2.92
Rot. Bonds6

About 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride (PubChem CID 120855787) has the molecular formula C17H25ClN4O3S and a molecular weight of 400.93 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
PubChem CID120855787
Molecular FormulaC17H25ClN4O3S
Molecular Weight400.93 g/mol
Exact Mass400.13
IUPAC Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride
SMILESCCN(CC)S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl
InChIInChI=1S/C17H24N4O3S.ClH/c1-3-21(4-2)25(22,23)14-9-7-13(8-10-14)15-19-16(20-24-15)17(18)11-5-6-12-17;/h7-10H,3-6,11-12,18H2,1-2H3;1H
InChIKeyHLMLXNGSNLHQCX-UHFFFAOYSA-N
XLogP2.92
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.93
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 120855132
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N,N-diethylbenzenesulfonamide
CID 120854040
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-4-methylbenzenesulfonamide;hydrochloride
CID 120858671
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-ethylbenzenesulfonamide;hydrochloride
CID 120854920
1-[5-(4-ethylphenyl)-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61351739
1-[5-[4-[2-(diethylamino)ethoxy]phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120850595
1-[5-[4-(diethylaminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862052
2-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonyl-N,N-dimethylacetamide
CID 120861550
1-[5-[4-(azepan-1-ylsulfonyl)phenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120851007
1-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120854803
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]phenyl]methanesulfonamide
CID 120860566
1-[5-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852096

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride?
The IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride (CID 120855787) is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride is CCN(CC)S(=O)(=O)c1ccc(-c2nc(C3(N)CCCC3)no2)cc1.Cl.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride?
The InChIKey is HLMLXNGSNLHQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S.ClH/c1-3-21(4-2)25(22,23)14-9-7-13(8-10-14)15-19-16(20-24-15)17(18)11-5-6-12-17;/h7-10H,3-6,11-12,18H2,1-2H3;1H.
What are the key properties of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride?
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride has a molecular weight of 400.93 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N,N-diethylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120855787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).