4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide

C24H24ClN3O4S — CID 2521144

IUPAC4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H24ClN3O4S/c25-20-6-9-22(10-7-20)33(31,32)28-15-13-27(14-16-28)24(30)12-11-23(29)26-21-8-5-18-3-1-2-4-19(18)17-21/h1-10,17H,11-16H2,(H,26,29)
InChIKeyBRAWSIIECGMQJC-UHFFFAOYSA-N
MW485.99 g/mol
LogP3.74
Rot. Bonds6

About 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide

4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide (PubChem CID 2521144) has the molecular formula C24H24ClN3O4S and a molecular weight of 485.99 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide
PubChem CID2521144
Molecular FormulaC24H24ClN3O4S
Molecular Weight485.99 g/mol
Exact Mass485.12
IUPAC Name4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide
SMILESO=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H24ClN3O4S/c25-20-6-9-22(10-7-20)33(31,32)28-15-13-27(14-16-28)24(30)12-11-23(29)26-21-8-5-18-3-1-2-4-19(18)17-21/h1-10,17H,11-16H2,(H,26,29)
InChIKeyBRAWSIIECGMQJC-UHFFFAOYSA-N
XLogP3.74
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.99
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide?
The IUPAC name of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide (CID 2521144) is 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide.
What is the SMILES notation for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide?
The canonical SMILES for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide is O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2ccccc2c1.
What is the InChIKey of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide?
The InChIKey is BRAWSIIECGMQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O4S/c25-20-6-9-22(10-7-20)33(31,32)28-15-13-27(14-16-28)24(30)12-11-23(29)26-21-8-5-18-3-1-2-4-19(18)17-21/h1-10,17H,11-16H2,(H,26,29).
What are the key properties of 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide?
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide has a molecular weight of 485.99 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-naphthalen-2-yl-4-oxobutanamide is sourced from PubChem (CID 2521144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).