N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H22ClN3O3S — CID 53056018

IUPACN-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H22ClN3O3S/c1-25(29(26,27)19-11-8-15-4-2-3-5-17(15)14-19)13-12-20-23-21(28-24-20)16-6-9-18(22)10-7-16/h6-11,14H,2-5,12-13H2,1H3
InChIKeyDQNCOAVJFBCADV-UHFFFAOYSA-N
MW431.95 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 53056018) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID53056018
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC NameN-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H22ClN3O3S/c1-25(29(26,27)19-11-8-15-4-2-3-5-17(15)14-19)13-12-20-23-21(28-24-20)16-6-9-18(22)10-7-16/h6-11,14H,2-5,12-13H2,1H3
InChIKeyDQNCOAVJFBCADV-UHFFFAOYSA-N
XLogP4.13
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[2-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methylbenzenesulfonamide
CID 53056040
4-cyclohexyl-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055844
N-methyl-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 53055823
N,3-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055948
N-(2-aminoethyl)-N-methyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 61348924
4-ethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055857
N,1-dimethyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-oxo-3H-indole-5-sulfonamide
CID 46290837
N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 110716108
4-cyclohexyl-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055927
N-[4-[methyl-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]sulfamoyl]phenyl]propanamide
CID 53055827
N-methyl-N-[2-(methylamino)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120718201
2,5-dimethoxy-N-methyl-N-[2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]benzenesulfonamide
CID 53055845

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 53056018) is N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CN(CCc1noc(-c2ccc(Cl)cc2)n1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is DQNCOAVJFBCADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-25(29(26,27)19-11-8-15-4-2-3-5-17(15)14-19)13-12-20-23-21(28-24-20)16-6-9-18(22)10-7-16/h6-11,14H,2-5,12-13H2,1H3.
What are the key properties of N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 431.95 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 53056018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).