N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide

C18H15ClFN3O3S — CID 24556156

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C18H15ClFN3O3S/c19-16-7-2-1-6-15(16)18-22-21-17(26-18)11-23(13-8-9-13)27(24,25)14-5-3-4-12(20)10-14/h1-7,10,13H,8-9,11H2
InChIKeyWDGWNLDKNVTHMW-UHFFFAOYSA-N
MW407.85 g/mol
LogP3.88
Rot. Bonds6

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide (PubChem CID 24556156) has the molecular formula C18H15ClFN3O3S and a molecular weight of 407.85 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide
PubChem CID24556156
Molecular FormulaC18H15ClFN3O3S
Molecular Weight407.85 g/mol
Exact Mass407.05
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C18H15ClFN3O3S/c19-16-7-2-1-6-15(16)18-22-21-17(26-18)11-23(13-8-9-13)27(24,25)14-5-3-4-12(20)10-14/h1-7,10,13H,8-9,11H2
InChIKeyWDGWNLDKNVTHMW-UHFFFAOYSA-N
XLogP3.88
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-sulfonamide
CID 167889655
N-[(3-bromophenyl)methyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanamine
CID 34553052
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
CID 16557654
2-[cyclopropyl-(3-fluorophenyl)sulfonylamino]acetic acid
CID 54946257
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
CID 16557614
5-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-methyl-1-benzofuran-2-carboxamide
CID 16561427
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 8011669
N-cyclopropyl-3-fluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496100
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 17468535
N-(3-aminopropyl)-N-cyclopropyl-3-fluorobenzenesulfonamide
CID 43136997
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-[[(3R)-oxolan-3-yl]methyl]cyclopropanamine
CID 94828168

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide (CID 24556156) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide?
The InChIKey is WDGWNLDKNVTHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O3S/c19-16-7-2-1-6-15(16)18-22-21-17(26-18)11-23(13-8-9-13)27(24,25)14-5-3-4-12(20)10-14/h1-7,10,13H,8-9,11H2.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-fluorobenzenesulfonamide has a molecular weight of 407.85 g/mol, XLogP of 3.88, 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-cyclopropyl-3-fluorobenzenesulfonamide is sourced from PubChem (CID 24556156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).