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

C23H22Cl2N4O5S — CID 16557594

IUPAC4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C23H22Cl2N4O5S/c24-18-4-2-1-3-17(18)22-27-26-21(34-22)14-29(16-6-7-16)23(30)15-5-8-19(25)20(13-15)35(31,32)28-9-11-33-12-10-28/h1-5,8,13,16H,6-7,9-12,14H2
InChIKeyPWZRIMRIUQFEAW-UHFFFAOYSA-N
MW537.43 g/mol
LogP3.87
Rot. Bonds7

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

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 16557594) has the molecular formula C23H22Cl2N4O5S and a molecular weight of 537.43 g/mol. Its IUPAC name is 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
PubChem CID16557594
Molecular FormulaC23H22Cl2N4O5S
Molecular Weight537.43 g/mol
Exact Mass536.07
IUPAC Name4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C23H22Cl2N4O5S/c24-18-4-2-1-3-17(18)22-27-26-21(34-22)14-29(16-6-7-16)23(30)15-5-8-19(25)20(13-15)35(31,32)28-9-11-33-12-10-28/h1-5,8,13,16H,6-7,9-12,14H2
InChIKeyPWZRIMRIUQFEAW-UHFFFAOYSA-N
XLogP3.87
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide (CID 16557594) is 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is PWZRIMRIUQFEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O5S/c24-18-4-2-1-3-17(18)22-27-26-21(34-22)14-29(16-6-7-16)23(30)15-5-8-19(25)20(13-15)35(31,32)28-9-11-33-12-10-28/h1-5,8,13,16H,6-7,9-12,14H2.
What are the key properties of 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 537.43 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16557594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).