N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

C20H20ClN3O4S — CID 162346144

IUPACN-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1-c1noc([C@@H]2[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)n1
InChIInChI=1S/C20H20ClN3O4S/c1-20(2)16(17(20)24-29(25,26)13-7-5-4-6-8-13)19-22-18(23-28-19)14-11-12(21)9-10-15(14)27-3/h4-11,16-17,24H,1-3H3/t16-,17-/m0/s1
InChIKeyKGZJTBPWQLRFPN-IRXDYDNUSA-N
MW433.92 g/mol
LogP3.87
Rot. Bonds6

About N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide

N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (PubChem CID 162346144) has the molecular formula C20H20ClN3O4S and a molecular weight of 433.92 g/mol. Its IUPAC name is N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
PubChem CID162346144
Molecular FormulaC20H20ClN3O4S
Molecular Weight433.92 g/mol
Exact Mass433.09
IUPAC NameN-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1-c1noc([C@@H]2[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)n1
InChIInChI=1S/C20H20ClN3O4S/c1-20(2)16(17(20)24-29(25,26)13-7-5-4-6-8-13)19-22-18(23-28-19)14-11-12(21)9-10-15(14)27-3/h4-11,16-17,24H,1-3H3/t16-,17-/m0/s1
InChIKeyKGZJTBPWQLRFPN-IRXDYDNUSA-N
XLogP3.87
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.92
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide 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

2-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]-1,3-thiazole-5-sulfonamide
CID 150236005
4-[(1S,2S)-2-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopropyl]benzenesulfonamide
CID 130448190
1-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 19332731
5-(2-bromophenyl)-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 19332501
3-(5-chloro-2-methoxyphenyl)-5-(2-iodophenyl)-1,2,4-oxadiazole
CID 19332463
3-(5-chloro-2-methoxyphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 102538095
5-[1-(3-chloro-4-fluorophenyl)sulfonylazetidin-3-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 121096938
N-[2-[(2-chlorobenzoyl)amino]ethyl]-3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17083533
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 2986760
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 95057910
3-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)-4-methoxybenzenesulfonamide
CID 50747537
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]benzenesulfonamide
CID 113048006

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide (CID 162346144) is N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is COc1ccc(Cl)cc1-c1noc([C@@H]2[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)n1.
What is the InChIKey of N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
The InChIKey is KGZJTBPWQLRFPN-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H20ClN3O4S/c1-20(2)16(17(20)24-29(25,26)13-7-5-4-6-8-13)19-22-18(23-28-19)14-11-12(21)9-10-15(14)27-3/h4-11,16-17,24H,1-3H3/t16-,17-/m0/s1.
What are the key properties of N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide?
N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide has a molecular weight of 433.92 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[3-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylcyclopropyl]benzenesulfonamide is sourced from PubChem (CID 162346144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).