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

C22H24ClN3O3S — CID 17468535

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24ClN3O3S/c1-15(2)26(14-21-24-25-22(29-21)19-9-5-6-10-20(19)23)30(27,28)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3
InChIKeyOENRNMGIZILCCE-UHFFFAOYSA-N
MW445.97 g/mol
LogP4.87
Rot. Bonds6

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 17468535) has the molecular formula C22H24ClN3O3S and a molecular weight of 445.97 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID17468535
Molecular FormulaC22H24ClN3O3S
Molecular Weight445.97 g/mol
Exact Mass445.12
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H24ClN3O3S/c1-15(2)26(14-21-24-25-22(29-21)19-9-5-6-10-20(19)23)30(27,28)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3
InChIKeyOENRNMGIZILCCE-UHFFFAOYSA-N
XLogP4.87
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.97
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866
4-chloro-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555835
2-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methylsulfonyl-N-propan-2-ylbenzamide
CID 55332799
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
3,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24555864
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-3-methyl-N-propan-2-ylfuran-2-carboxamide
CID 51240926
4-cyano-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylbenzenesulfonamide
CID 24506519
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 24556156
methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213
2-(2-chlorophenyl)-5-[(4-chlorophenyl)sulfonylmethyl]-1,3,4-oxadiazole
CID 42632515

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 17468535) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is OENRNMGIZILCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S/c1-15(2)26(14-21-24-25-22(29-21)19-9-5-6-10-20(19)23)30(27,28)18-12-11-16-7-3-4-8-17(16)13-18/h5-6,9-13,15H,3-4,7-8,14H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 445.97 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 17468535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).