4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide

C24H32N4O4S — CID 91499019

IUPAC4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H32N4O4S/c29-24(28-16-18-32-19-17-28)27-14-12-26(13-15-27)20-22-6-8-23(9-7-22)33(30,31)25-11-10-21-4-2-1-3-5-21/h1-9,25H,10-20H2
InChIKeyRKONKFAPLFHUCM-UHFFFAOYSA-N
MW472.61 g/mol
LogP1.78
Rot. Bonds7

About 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide

4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 91499019) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide
PubChem CID91499019
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC Name4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide
SMILESO=C(N1CCOCC1)N1CCN(Cc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1
InChIInChI=1S/C24H32N4O4S/c29-24(28-16-18-32-19-17-28)27-14-12-26(13-15-27)20-22-6-8-23(9-7-22)33(30,31)25-11-10-21-4-2-1-3-5-21/h1-9,25H,10-20H2
InChIKeyRKONKFAPLFHUCM-UHFFFAOYSA-N
XLogP1.78
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide (CID 91499019) is 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide is O=C(N1CCOCC1)N1CCN(Cc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)CC1.
What is the InChIKey of 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is RKONKFAPLFHUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c29-24(28-16-18-32-19-17-28)27-14-12-26(13-15-27)20-22-6-8-23(9-7-22)33(30,31)25-11-10-21-4-2-1-3-5-21/h1-9,25H,10-20H2.
What are the key properties of 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide?
4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 472.61 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 91499019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).