2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C18H19Cl3N2O3S — CID 43064501

IUPAC2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl3N2O3S/c19-14-5-2-1-4-13(14)16(23-8-10-26-11-9-23)12-22-27(24,25)17-7-3-6-15(20)18(17)21/h1-7,16,22H,8-12H2
InChIKeyUIMKUBZERDSWTJ-UHFFFAOYSA-N
MW449.79 g/mol
LogP4.00
Rot. Bonds6

About 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 43064501) has the molecular formula C18H19Cl3N2O3S and a molecular weight of 449.79 g/mol. Its IUPAC name is 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID43064501
Molecular FormulaC18H19Cl3N2O3S
Molecular Weight449.79 g/mol
Exact Mass448.02
IUPAC Name2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESO=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1cccc(Cl)c1Cl
InChIInChI=1S/C18H19Cl3N2O3S/c19-14-5-2-1-4-13(14)16(23-8-10-26-11-9-23)12-22-27(24,25)17-7-3-6-15(20)18(17)21/h1-7,16,22H,8-12H2
InChIKeyUIMKUBZERDSWTJ-UHFFFAOYSA-N
XLogP4.00
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.79
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 110314133
4-chloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2-methylbenzenesulfonamide
CID 46452560
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-ethylbenzenesulfonamide
CID 42892400
2-(2-chlorophenyl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110633437
5-bromo-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 43064529
2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 75748883
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 43064531
2-chloro-N-[(2R)-2-morpholin-4-yl-2-thiophen-3-ylethyl]benzenesulfonamide
CID 30606819
ethyl 4-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]sulfamoyl]benzoate
CID 43064502
1-(3-chloro-4-fluorophenyl)-N-[(2S)-2-(2-chlorophenyl)-2-morpholin-4-ylethyl]methanesulfonamide
CID 97013934
N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]-4-methyl-3-nitrobenzenesulfonamide
CID 43064486
4-[(1R)-1-(2-chlorophenyl)-2-[[cyclohexyl(methyl)sulfamoyl]amino]ethyl]morpholine
CID 51943141

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 43064501) is 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is O=S(=O)(NCC(c1ccccc1Cl)N1CCOCC1)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is UIMKUBZERDSWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl3N2O3S/c19-14-5-2-1-4-13(14)16(23-8-10-26-11-9-23)12-22-27(24,25)17-7-3-6-15(20)18(17)21/h1-7,16,22H,8-12H2.
What are the key properties of 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 449.79 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 43064501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).