N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

C20H25N3O4S — CID 126202255

IUPACN-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)20(24)16-27-18-7-9-19(10-8-18)28(25,26)21-15-17-5-3-2-4-6-17/h2-10,21H,11-16H2,1H3
InChIKeySIJFLGMEFLHBIT-UHFFFAOYSA-N
MW403.50 g/mol
LogP1.32
Rot. Bonds7

About N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (PubChem CID 126202255) has the molecular formula C20H25N3O4S and a molecular weight of 403.50 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
PubChem CID126202255
Molecular FormulaC20H25N3O4S
Molecular Weight403.50 g/mol
Exact Mass403.16
IUPAC NameN-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
InChIInChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)20(24)16-27-18-7-9-19(10-8-18)28(25,26)21-15-17-5-3-2-4-6-17/h2-10,21H,11-16H2,1H3
InChIKeySIJFLGMEFLHBIT-UHFFFAOYSA-N
XLogP1.32
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide
CID 126202811
N-methyl-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]phenyl]benzenesulfonamide
CID 17247064
N-benzyl-4-[2-(4-methylphenoxy)acetyl]piperazine-1-carboxamide
CID 38828911
ethyl 4-[2-[4-(benzylsulfamoyl)-2-methylphenoxy]acetyl]piperazine-1-carboxylate
CID 4315024
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 126139757
4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-(2-phenylethyl)benzenesulfonamide
CID 2942380
2-[4-(benzylsulfamoyl)phenoxy]-N-cyclopropylacetamide
CID 126197548
4-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-N-phenylbenzenesulfonamide
CID 45375503
1-[4-(2-phenoxyacetyl)piperazin-1-yl]-2-phenylethanone
CID 695003
1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (CID 126202255) is N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is CN1CCN(C(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1.
What is the InChIKey of N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The InChIKey is SIJFLGMEFLHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4S/c1-22-11-13-23(14-12-22)20(24)16-27-18-7-9-19(10-8-18)28(25,26)21-15-17-5-3-2-4-6-17/h2-10,21H,11-16H2,1H3.
What are the key properties of N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide has a molecular weight of 403.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 126202255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).