2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

C20H22Cl2N2O3S — CID 30142830

IUPAC2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESO=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1
InChIInChI=1S/C20H22Cl2N2O3S/c21-16-9-10-17(22)19(14-16)28(26,27)23-18(13-15-7-3-1-4-8-15)20(25)24-11-5-2-6-12-24/h1,3-4,7-10,14,18,23H,2,5-6,11-13H2/t18-/m1/s1
InChIKeyPTEVMBHQVQVUKY-GOSISDBHSA-N
MW441.38 g/mol
LogP3.90
Rot. Bonds6

About 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide

2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide (PubChem CID 30142830) has the molecular formula C20H22Cl2N2O3S and a molecular weight of 441.38 g/mol. Its IUPAC name is 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
PubChem CID30142830
Molecular FormulaC20H22Cl2N2O3S
Molecular Weight441.38 g/mol
Exact Mass440.07
IUPAC Name2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESO=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1
InChIInChI=1S/C20H22Cl2N2O3S/c21-16-9-10-17(22)19(14-16)28(26,27)23-18(13-15-7-3-1-4-8-15)20(25)24-11-5-2-6-12-24/h1,3-4,7-10,14,18,23H,2,5-6,11-13H2/t18-/m1/s1
InChIKeyPTEVMBHQVQVUKY-GOSISDBHSA-N
XLogP3.90
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dichloro-N-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 30142856
2,5-dichloro-N-[(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862790
2,5-dichloro-N-[(2R)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862792
4-chloro-N-[(2S)-1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347324
2,5-dichloro-N-[(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 94862795
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 110347396
2-chloro-N-[(2S)-4-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl]benzenesulfonamide
CID 110351682
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990
2,6-dichloro-N-[(2R)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]benzenesulfonamide
CID 34320418
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 99945760
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
4-methoxy-3-methyl-N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 30143745

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide (CID 30142830) is 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide is O=C([C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl)N1CCCCC1.
What is the InChIKey of 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is PTEVMBHQVQVUKY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3S/c21-16-9-10-17(22)19(14-16)28(26,27)23-18(13-15-7-3-1-4-8-15)20(25)24-11-5-2-6-12-24/h1,3-4,7-10,14,18,23H,2,5-6,11-13H2/t18-/m1/s1.
What are the key properties of 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide?
2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 441.38 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(2R)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 30142830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).