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

C23H22ClFN4O5S — CID 24982619

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C23H22ClFN4O5S/c24-19-4-2-1-3-17(19)22-27-26-21(34-22)14-29(15-5-6-15)23(30)18-13-16(7-8-20(18)25)35(31,32)28-9-11-33-12-10-28/h1-4,7-8,13,15H,5-6,9-12,14H2
InChIKeyZAFXDSCWSIVVIU-UHFFFAOYSA-N
MW520.97 g/mol
LogP3.35
Rot. Bonds7

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 24982619) has the molecular formula C23H22ClFN4O5S and a molecular weight of 520.97 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
PubChem CID24982619
Molecular FormulaC23H22ClFN4O5S
Molecular Weight520.97 g/mol
Exact Mass520.10
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C23H22ClFN4O5S/c24-19-4-2-1-3-17(19)22-27-26-21(34-22)14-29(15-5-6-15)23(30)18-13-16(7-8-20(18)25)35(31,32)28-9-11-33-12-10-28/h1-4,7-8,13,15H,5-6,9-12,14H2
InChIKeyZAFXDSCWSIVVIU-UHFFFAOYSA-N
XLogP3.35
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.97
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide (CID 24982619) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZAFXDSCWSIVVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN4O5S/c24-19-4-2-1-3-17(19)22-27-26-21(34-22)14-29(15-5-6-15)23(30)18-13-16(7-8-20(18)25)35(31,32)28-9-11-33-12-10-28/h1-4,7-8,13,15H,5-6,9-12,14H2.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-fluoro-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 520.97 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 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-2-fluoro-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 24982619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).