N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

C20H24ClN3O4S — CID 2987081

IUPACN-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-2-23-11-13-24(14-12-23)20(25)15-28-18-7-9-19(10-8-18)29(26,27)22-17-5-3-16(21)4-6-17/h3-10,22H,2,11-15H2,1H3
InChIKeyRKNJENQBPATLNV-UHFFFAOYSA-N
MW437.95 g/mol
LogP2.68
Rot. Bonds7

About N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide

N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (PubChem CID 2987081) has the molecular formula C20H24ClN3O4S and a molecular weight of 437.95 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
PubChem CID2987081
Molecular FormulaC20H24ClN3O4S
Molecular Weight437.95 g/mol
Exact Mass437.12
IUPAC NameN-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide
SMILESCCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H24ClN3O4S/c1-2-23-11-13-24(14-12-23)20(25)15-28-18-7-9-19(10-8-18)29(26,27)22-17-5-3-16(21)4-6-17/h3-10,22H,2,11-15H2,1H3
InChIKeyRKNJENQBPATLNV-UHFFFAOYSA-N
XLogP2.68
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.95
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-3-phenoxypropanamide
CID 16330715
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-4-phenoxybutanamide
CID 5185087
N-[4-[4-[3-(2-chlorophenoxy)propyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2954170
N-(4-(2-(4-(3,4-Dichlorophenyl)piperazin-1-yl)-2-oxoethoxy)phenyl)methanesulfonamide
CID 46227094
N-(2-fluorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6457540
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-N-cyclohexylbenzenesulfonamide
CID 1005987
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-(propan-2-yl)benzenesulfonamide
CID 1084702
4-(2-Morpholin-4-yl-2-oxo-ethoxy)-N-p-tolyl-benzenesulfonamide
CID 1092897
N-(4-methoxyphenyl)-4-[2-oxo-2-(1-pyrrolidinyl)ethoxy]benzenesulfonamide
CID 1092928
2-(4-methoxyphenoxy)-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide
CID 1094291
2-(4-chloro-3-methylphenoxy)-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}acetamide
CID 1226678
N-(3-chloro-2-methylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 1249201

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide (CID 2987081) is N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is CCN1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
The InChIKey is RKNJENQBPATLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O4S/c1-2-23-11-13-24(14-12-23)20(25)15-28-18-7-9-19(10-8-18)29(26,27)22-17-5-3-16(21)4-6-17/h3-10,22H,2,11-15H2,1H3.
What are the key properties of N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide?
N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide has a molecular weight of 437.95 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethoxy]benzenesulfonamide is sourced from PubChem (CID 2987081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).