4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide

C20H22Cl2N2O4S2 — CID 11752168

IUPAC4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide
SMILESC=CC(CNS(=O)(=O)c1ccc(Cl)cc1)[C@H](C=C)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4S2/c1-3-15(13-23-29(25,26)19-9-5-17(21)6-10-19)16(4-2)14-24-30(27,28)20-11-7-18(22)8-12-20/h3-12,15-16,23-24H,1-2,13-14H2/t15-,16?/m1/s1
InChIKeyUWQPLEVVHYIKPJ-AAFJCEBUSA-N
MW489.45 g/mol
LogP3.85
Rot. Bonds11

About 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide

4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide (PubChem CID 11752168) has the molecular formula C20H22Cl2N2O4S2 and a molecular weight of 489.45 g/mol. Its IUPAC name is 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide
PubChem CID11752168
Molecular FormulaC20H22Cl2N2O4S2
Molecular Weight489.45 g/mol
Exact Mass488.04
IUPAC Name4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide
SMILESC=CC(CNS(=O)(=O)c1ccc(Cl)cc1)[C@H](C=C)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H22Cl2N2O4S2/c1-3-15(13-23-29(25,26)19-9-5-17(21)6-10-19)16(4-2)14-24-30(27,28)20-11-7-18(22)8-12-20/h3-12,15-16,23-24H,1-2,13-14H2/t15-,16?/m1/s1
InChIKeyUWQPLEVVHYIKPJ-AAFJCEBUSA-N
XLogP3.85
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(2S)-2-chloro-2-cyanoethyl]benzenesulfonamide
CID 1210342
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-[(4-chlorophenyl)sulfonylamino]-N-ethylbenzenesulfonamide
CID 22203365
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-4-ethylbenzenesulfonamide
CID 110663517
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
N-[2-(4-chlorophenyl)-2-methoxyethyl]-4-methylbenzenesulfonamide
CID 134843251
4-chloro-N-(5-chloro-4-methylpentyl)benzenesulfonamide
CID 106158848
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
N-[2-(4-chlorophenyl)-2-propylsulfanylethyl]-4-methylbenzenesulfonamide
CID 51356515
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide (CID 11752168) is 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide is C=CC(CNS(=O)(=O)c1ccc(Cl)cc1)[C@H](C=C)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide?
The InChIKey is UWQPLEVVHYIKPJ-AAFJCEBUSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4S2/c1-3-15(13-23-29(25,26)19-9-5-17(21)6-10-19)16(4-2)14-24-30(27,28)20-11-7-18(22)8-12-20/h3-12,15-16,23-24H,1-2,13-14H2/t15-,16?/m1/s1.
What are the key properties of 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide?
4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide has a molecular weight of 489.45 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2S,3S)-3-[[(4-chlorophenyl)sulfonylamino]methyl]-2-ethenylpent-4-enyl]benzenesulfonamide is sourced from PubChem (CID 11752168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).