2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

C15H21Cl2N3O3S — CID 126396890

IUPAC2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-3-19-6-8-20(9-7-19)15(21)11(2)18-24(22,23)14-10-12(16)4-5-13(14)17/h4-5,10-11,18H,3,6-9H2,1-2H3/t11-/m1/s1
InChIKeyRKYMFGBRXHPGRD-LLVKDONJSA-N
MW394.32 g/mol
LogP1.82
Rot. Bonds5

About 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 126396890) has the molecular formula C15H21Cl2N3O3S and a molecular weight of 394.32 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID126396890
Molecular FormulaC15H21Cl2N3O3S
Molecular Weight394.32 g/mol
Exact Mass393.07
IUPAC Name2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
SMILESCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O3S/c1-3-19-6-8-20(9-7-19)15(21)11(2)18-24(22,23)14-10-12(16)4-5-13(14)17/h4-5,10-11,18H,3,6-9H2,1-2H3/t11-/m1/s1
InChIKeyRKYMFGBRXHPGRD-LLVKDONJSA-N
XLogP1.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
2,5-dichloro-N-[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 126392685
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
5-bromo-2-fluoro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51130079
2,4-dichloro-N-[1-(4-ethylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 134016848
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-ethylphenyl)propanamide
CID 124550207
N-[(2R)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38168403
2,5-dichloro-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 788817
2,5-dichloro-N-pentan-2-ylbenzenesulfonamide
CID 2886118
3-chloro-4-fluoro-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94797865
N-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-2-methyl-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 71256070
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-ethoxypropyl)propanamide
CID 126397173

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide (CID 126396890) is 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is RKYMFGBRXHPGRD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21Cl2N3O3S/c1-3-19-6-8-20(9-7-19)15(21)11(2)18-24(22,23)14-10-12(16)4-5-13(14)17/h4-5,10-11,18H,3,6-9H2,1-2H3/t11-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 394.32 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 126396890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).