3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide

C17H23ClN4O3S — CID 120856091

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3(N)CCCC3)no2)c1
InChIInChI=1S/C17H23ClN4O3S/c1-11(2)22(3)26(23,24)12-6-7-14(18)13(10-12)15-20-16(21-25-15)17(19)8-4-5-9-17/h6-7,10-11H,4-5,8-9,19H2,1-3H3
InChIKeyWBZFQMQFVJOKKP-UHFFFAOYSA-N
MW398.92 g/mol
LogP3.15
Rot. Bonds5

About 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide (PubChem CID 120856091) has the molecular formula C17H23ClN4O3S and a molecular weight of 398.92 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
PubChem CID120856091
Molecular FormulaC17H23ClN4O3S
Molecular Weight398.92 g/mol
Exact Mass398.12
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3(N)CCCC3)no2)c1
InChIInChI=1S/C17H23ClN4O3S/c1-11(2)22(3)26(23,24)12-6-7-14(18)13(10-12)15-20-16(21-25-15)17(19)8-4-5-9-17/h6-7,10-11H,4-5,8-9,19H2,1-3H3
InChIKeyWBZFQMQFVJOKKP-UHFFFAOYSA-N
XLogP3.15
TPSA102.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide (CID 120856091) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide is CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(-c2nc(C3(N)CCCC3)no2)c1.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
The InChIKey is WBZFQMQFVJOKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O3S/c1-11(2)22(3)26(23,24)12-6-7-14(18)13(10-12)15-20-16(21-25-15)17(19)8-4-5-9-17/h6-7,10-11H,4-5,8-9,19H2,1-3H3.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide has a molecular weight of 398.92 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-4-chloro-N-methyl-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 120856091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).