ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

C23H26BrCl2NO4S — CID 23735038

IUPACethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H26BrCl2NO4S/c1-2-31-23(28)17-8-6-16(7-9-17)14-27(15-20-21(25)4-3-5-22(20)26)32(29,30)19-12-10-18(24)11-13-19/h3-5,10-13,16-17H,2,6-9,14-15H2,1H3
InChIKeyACTMNIAIYWLHMY-UHFFFAOYSA-N
MW563.34 g/mol
LogP6.32
Rot. Bonds8

About ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate

ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate (PubChem CID 23735038) has the molecular formula C23H26BrCl2NO4S and a molecular weight of 563.34 g/mol. Its IUPAC name is ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
PubChem CID23735038
Molecular FormulaC23H26BrCl2NO4S
Molecular Weight563.34 g/mol
Exact Mass561.01
IUPAC Nameethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1
InChIInChI=1S/C23H26BrCl2NO4S/c1-2-31-23(28)17-8-6-16(7-9-17)14-27(15-20-21(25)4-3-5-22(20)26)32(29,30)19-12-10-18(24)11-13-19/h3-5,10-13,16-17H,2,6-9,14-15H2,1H3
InChIKeyACTMNIAIYWLHMY-UHFFFAOYSA-N
XLogP6.32
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.34
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate 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-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]-N-(3-methoxypropyl)cyclohexane-1-carboxamide
CID 46371286
4-bromo-N-[(2,6-dichlorophenyl)methyl]-N-[[4-(2,3-dihydroindole-1-carbonyl)cyclohexyl]methyl]benzenesulfonamide
CID 46371287
ethyl 4-[[(4-chlorophenyl)methyl-(3-nitrophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
CID 5323291
ethyl 1-[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]piperidine-4-carboxylate
CID 2950441
ethyl 4-[[(4-fluorophenyl)sulfonyl-[(4-methoxyphenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
CID 126479519
ethyl 4-[[(3-bromophenyl)methyl-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoyl]-4-fluorophenyl]sulfonylamino]methyl]cyclohexane-1-carboxylate
CID 46371566
ethyl 4-[[[3-[(4-chlorophenyl)carbamoyl]-4-fluorophenyl]sulfonyl-[(4-chlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate
CID 46371555
ethyl 4-[[(4-chlorophenyl)methyl-[4-fluoro-3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]sulfonylamino]methyl]cyclohexane-1-carboxylate
CID 46371558
2-[(2,6-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N,N-diethylacetamide
CID 126011436
ethyl 3-[(3-chloro-4-fluorophenyl)sulfonyl-(cyclopropylmethyl)amino]propanoate
CID 60588940
ethyl 3-[(2,6-dichlorophenyl)methyl-(4-fluoro-3-methylphenyl)sulfonylamino]propanoate
CID 5090813
4-[[[2-(4-chloro-3-methylphenyl)ethanethioyl]-[(4-ethyl-2-methylphenyl)methyl]amino]methyl]cyclohexane-1-carboxylic acid;ethyl 4-[[(4-acetamidophenyl)sulfonyl-benzylamino]methyl]cyclohexane-1-carboxylate;ethyl 4-[[benzyl-(4-bromophenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate;ethyl 4-[[(3-bromophenyl)methyl-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]cyclohexane-1-carboxylate;ethyl 4-[[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]methyl]cyclohexane-1-carboxylate
CID 160646438

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate (CID 23735038) is ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCC(CN(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccc(Br)cc2)CC1.
What is the InChIKey of ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is ACTMNIAIYWLHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrCl2NO4S/c1-2-31-23(28)17-8-6-16(7-9-17)14-27(15-20-21(25)4-3-5-22(20)26)32(29,30)19-12-10-18(24)11-13-19/h3-5,10-13,16-17H,2,6-9,14-15H2,1H3.
What are the key properties of ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate?
ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 563.34 g/mol, XLogP of 6.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4-bromophenyl)sulfonyl-[(2,6-dichlorophenyl)methyl]amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 23735038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).