N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide

C24H32N4O4S — CID 59826289

IUPACN-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C24H32N4O4S/c1-25(19-21-6-3-2-4-7-21)33(30,31)23-9-5-8-22(18-23)20-26-10-12-27(13-11-26)24(29)28-14-16-32-17-15-28/h2-9,18H,10-17,19-20H2,1H3
InChIKeyJBLPNMPQIODCNF-UHFFFAOYSA-N
MW472.61 g/mol
LogP2.08
Rot. Bonds6

About N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide

N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide (PubChem CID 59826289) has the molecular formula C24H32N4O4S and a molecular weight of 472.61 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
PubChem CID59826289
Molecular FormulaC24H32N4O4S
Molecular Weight472.61 g/mol
Exact Mass472.21
IUPAC NameN-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C24H32N4O4S/c1-25(19-21-6-3-2-4-7-21)33(30,31)23-9-5-8-22(18-23)20-26-10-12-27(13-11-26)24(29)28-14-16-32-17-15-28/h2-9,18H,10-17,19-20H2,1H3
InChIKeyJBLPNMPQIODCNF-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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Related Compounds

N-benzyl-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]benzenesulfonamide
CID 59826329
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 110398802
N-benzyl-N-methyl-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 37476685
N,N-dimethyl-3-[(4-phenylpiperazin-1-yl)methyl]benzenesulfonamide
CID 27134749
4-[3-[(4-benzylpiperazin-1-yl)methyl]phenyl]sulfonylmorpholine
CID 8902409
N-benzyl-4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-methylbenzenesulfonamide
CID 3667650
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
1-morpholin-4-yl-2-[4-[(3-morpholin-4-ylsulfonylphenyl)methyl]piperazin-1-yl]ethanone
CID 30961426
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N,4-dimethyl-N-[[4-(morpholine-4-carbonyl)phenyl]methyl]benzenesulfonamide
CID 53278764
3-(4-benzylpiperazine-1-carbonyl)-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 27671245

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide (CID 59826289) is N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1cccc(CN2CCN(C(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
The InChIKey is JBLPNMPQIODCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O4S/c1-25(19-21-6-3-2-4-7-21)33(30,31)23-9-5-8-22(18-23)20-26-10-12-27(13-11-26)24(29)28-14-16-32-17-15-28/h2-9,18H,10-17,19-20H2,1H3.
What are the key properties of N-benzyl-N-methyl-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide?
N-benzyl-N-methyl-3-[[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-3-[[4-(morpholine-4-carbonyl)piperazin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 59826289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).