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

C23H24ClFN4O5S — CID 24979293

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C23H24ClFN4O5S/c1-2-9-28(15-21-26-27-22(34-21)17-5-3-4-6-19(17)24)23(30)18-14-16(7-8-20(18)25)35(31,32)29-10-12-33-13-11-29/h3-8,14H,2,9-13,15H2,1H3
InChIKeyIOOHJLZSPAWVDV-UHFFFAOYSA-N
MW522.99 g/mol
LogP3.60
Rot. Bonds8

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide (PubChem CID 24979293) has the molecular formula C23H24ClFN4O5S and a molecular weight of 522.99 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide
PubChem CID24979293
Molecular FormulaC23H24ClFN4O5S
Molecular Weight522.99 g/mol
Exact Mass522.11
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
InChIInChI=1S/C23H24ClFN4O5S/c1-2-9-28(15-21-26-27-22(34-21)17-5-3-4-6-19(17)24)23(30)18-14-16(7-8-20(18)25)35(31,32)29-10-12-33-13-11-29/h3-8,14H,2,9-13,15H2,1H3
InChIKeyIOOHJLZSPAWVDV-UHFFFAOYSA-N
XLogP3.60
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.99
LogP ≤ 53.60
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]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide (CID 24979293) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide is CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide?
The InChIKey is IOOHJLZSPAWVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O5S/c1-2-9-28(15-21-26-27-22(34-21)17-5-3-4-6-19(17)24)23(30)18-14-16(7-8-20(18)25)35(31,32)29-10-12-33-13-11-29/h3-8,14H,2,9-13,15H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide has a molecular weight of 522.99 g/mol, XLogP of 3.60, 8 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]-2-fluoro-5-morpholin-4-ylsulfonyl-N-propylbenzamide is sourced from PubChem (CID 24979293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).