4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide

C21H27N3O4S — CID 1084702

IUPAC4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-17(2)22-29(26,27)20-10-8-19(9-11-20)28-16-21(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3
InChIKeyOHOJXNZTFGGRGP-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.10
Rot. Bonds7

About 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide

4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide (PubChem CID 1084702) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide
PubChem CID1084702
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide
SMILESCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-17(2)22-29(26,27)20-10-8-19(9-11-20)28-16-21(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3
InChIKeyOHOJXNZTFGGRGP-UHFFFAOYSA-N
XLogP2.10
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431547
3-fluoro-N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)benzenesulfonamide
CID 44431551
N-((1r,4r)-4-(4-(2-isopropoxyphenyl)piperazin-1-yl)cyclohexyl)-3,4-dimethoxybenzenesulfonamide
CID 44431560
3-oxo-N-(2-phenylethyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
CID 4916035
Methyl 4-[(4-phenyl-1-piperazinyl)sulfonyl]phenyl ether
CID 756017
6-(1-Piperidinylsulfonyl)-2H-1,4-benzoxazin-3(4H)-one
CID 4172058
6-pyrrolidin-1-ylsulfonyl-4H-1,4-benzoxazin-3-one
CID 4916037
rac-N-[(1R,2R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784696
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl}benzenesulfonamide
CID 23604942
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
2-[6-(Azepane-1-sulfonyl)-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-YL]-N-benzyl-N-(propan-2-YL)acetamide
CID 16019762
N-[4-(4-Methanesulfonyl-piperazin-1-yl)-phenyl]-2-o-tolyloxy-acetamide
CID 655939

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide (CID 1084702) is 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide is CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OHOJXNZTFGGRGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-17(2)22-29(26,27)20-10-8-19(9-11-20)28-16-21(25)24-14-12-23(13-15-24)18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3.
What are the key properties of 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide?
4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1084702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).