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

C24H26ClN5O4S — CID 24819938

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC1
InChIInChI=1S/C24H26ClN5O4S/c1-28-11-13-29(14-12-28)35(32,33)19-6-4-5-17(15-19)24(31)30(18-9-10-18)16-22-26-27-23(34-22)20-7-2-3-8-21(20)25/h2-8,15,18H,9-14,16H2,1H3
InChIKeyOBLGFBJTUWDGNO-UHFFFAOYSA-N
MW516.02 g/mol
LogP3.13
Rot. Bonds7

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 24819938) has the molecular formula C24H26ClN5O4S and a molecular weight of 516.02 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID24819938
Molecular FormulaC24H26ClN5O4S
Molecular Weight516.02 g/mol
Exact Mass515.14
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC1
InChIInChI=1S/C24H26ClN5O4S/c1-28-11-13-29(14-12-28)35(32,33)19-6-4-5-17(15-19)24(31)30(18-9-10-18)16-22-26-27-23(34-22)20-7-2-3-8-21(20)25/h2-8,15,18H,9-14,16H2,1H3
InChIKeyOBLGFBJTUWDGNO-UHFFFAOYSA-N
XLogP3.13
TPSA99.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.02
LogP ≤ 53.13
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-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 24819938) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is CN1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)c2)CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is OBLGFBJTUWDGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S/c1-28-11-13-29(14-12-28)35(32,33)19-6-4-5-17(15-19)24(31)30(18-9-10-18)16-22-26-27-23(34-22)20-7-2-3-8-21(20)25/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 516.02 g/mol, XLogP of 3.13, 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-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 24819938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).