4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide

C23H32Cl2N2O4S2 — CID 98157755

IUPAC4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide
SMILESCCCC[C@@](CC)(CCCNS(=O)(=O)c1ccc(Cl)cc1)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H32Cl2N2O4S2/c1-3-5-15-23(4-2,18-27-33(30,31)22-13-9-20(25)10-14-22)16-6-17-26-32(28,29)21-11-7-19(24)8-12-21/h7-14,26-27H,3-6,15-18H2,1-2H3/t23-/m0/s1
InChIKeyPXRUAOHWBYSXGS-QHCPKHFHSA-N
MW535.56 g/mol
LogP5.62
Rot. Bonds14

About 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide

4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide (PubChem CID 98157755) has the molecular formula C23H32Cl2N2O4S2 and a molecular weight of 535.56 g/mol. Its IUPAC name is 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide
PubChem CID98157755
Molecular FormulaC23H32Cl2N2O4S2
Molecular Weight535.56 g/mol
Exact Mass534.12
IUPAC Name4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide
SMILESCCCC[C@@](CC)(CCCNS(=O)(=O)c1ccc(Cl)cc1)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H32Cl2N2O4S2/c1-3-5-15-23(4-2,18-27-33(30,31)22-13-9-20(25)10-14-22)16-6-17-26-32(28,29)21-11-7-19(24)8-12-21/h7-14,26-27H,3-6,15-18H2,1-2H3/t23-/m0/s1
InChIKeyPXRUAOHWBYSXGS-QHCPKHFHSA-N
XLogP5.62
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.56
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]benzenesulfonamide
CID 103844707
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
3-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]prop-2-enamide
CID 3331699
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011
3,5-dichloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256201
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
4-chloro-N-(6-iodohexyl)benzenesulfonamide
CID 107849052
3-chloro-N-[2-(chloromethyl)-2-ethylbutyl]benzenesulfonamide
CID 106256101
4-chloro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 43443247
2-(4-chlorophenyl)-N-[4-(hexylsulfamoyl)phenyl]acetamide
CID 4143935
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide (CID 98157755) is 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide is CCCC[C@@](CC)(CCCNS(=O)(=O)c1ccc(Cl)cc1)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide?
The InChIKey is PXRUAOHWBYSXGS-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H32Cl2N2O4S2/c1-3-5-15-23(4-2,18-27-33(30,31)22-13-9-20(25)10-14-22)16-6-17-26-32(28,29)21-11-7-19(24)8-12-21/h7-14,26-27H,3-6,15-18H2,1-2H3/t23-/m0/s1.
What are the key properties of 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide?
4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide has a molecular weight of 535.56 g/mol, XLogP of 5.62, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4S)-4-[[(4-chlorophenyl)sulfonylamino]methyl]-4-ethyloctyl]benzenesulfonamide is sourced from PubChem (CID 98157755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).