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

C24H32N4O4S — CID 25070054

IUPACN-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-25(19-21-5-3-2-4-6-21)33(30,31)23-9-7-22(8-10-23)20-26-11-13-27(14-12-26)24(29)28-15-17-32-18-16-28/h2-10H,11-20H2,1H3
InChIKeyCWJVXCGKVIPTAK-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.08
Rot. Bonds6

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

N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide (PubChem CID 25070054) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
PubChem CID25070054
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCN(C(=O)N3CCOCC3)CC2)cc1
InChIInChI=1S/C24H32N4O4S/c1-25(19-21-5-3-2-4-6-21)33(30,31)23-9-7-22(8-10-23)20-26-11-13-27(14-12-26)24(29)28-15-17-32-18-16-28/h2-10H,11-20H2,1H3
InChIKeyCWJVXCGKVIPTAK-UHFFFAOYSA-N
XLogP2.08
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.61
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide (CID 25070054) is N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(CN2CCN(C(=O)N3CCOCC3)CC2)cc1.
What is the InChIKey of N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
The InChIKey is CWJVXCGKVIPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-25(19-21-5-3-2-4-6-21)33(30,31)23-9-7-22(8-10-23)20-26-11-13-27(14-12-26)24(29)28-15-17-32-18-16-28/h2-10H,11-20H2,1H3.
What are the key properties of N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide has a molecular weight of 472.61 g/mol, XLogP of 2.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-4-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 25070054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).