4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

C19H23BrN2O4S — CID 44903369

IUPAC4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-25-17-6-2-15(3-7-17)19(22-10-12-26-13-11-22)14-21-27(23,24)18-8-4-16(20)5-9-18/h2-9,19,21H,10-14H2,1H3
InChIKeyJPPUBQXLOBDXTB-UHFFFAOYSA-N
MW455.37 g/mol
LogP2.81
Rot. Bonds7

About 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide

4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (PubChem CID 44903369) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
PubChem CID44903369
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
SMILESCOc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1
InChIInChI=1S/C19H23BrN2O4S/c1-25-17-6-2-15(3-7-17)19(22-10-12-26-13-11-22)14-21-27(23,24)18-8-4-16(20)5-9-18/h2-9,19,21H,10-14H2,1H3
InChIKeyJPPUBQXLOBDXTB-UHFFFAOYSA-N
XLogP2.81
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16553768
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]propanamide
CID 25163879
4-cyano-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 55352588
4-[2-(dimethylsulfamoylamino)-1-(4-methoxyphenyl)ethyl]morpholine
CID 112502616
4-bromo-N-(2-morpholin-4-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16933137
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
4-(2-methoxyethoxy)-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 55598879
4-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 42912923
5-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]thiophene-2-sulfonamide
CID 30836035
N-[(2S)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 30631098
N-[(2S)-2-morpholin-4-yl-2-phenylethyl]benzenesulfonamide
CID 746168
4-chloro-N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 30631104

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide (CID 44903369) is 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is COc1ccc(C(CNS(=O)(=O)c2ccc(Br)cc2)N2CCOCC2)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
The InChIKey is JPPUBQXLOBDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-25-17-6-2-15(3-7-17)19(22-10-12-26-13-11-22)14-21-27(23,24)18-8-4-16(20)5-9-18/h2-9,19,21H,10-14H2,1H3.
What are the key properties of 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide?
4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide has a molecular weight of 455.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide is sourced from PubChem (CID 44903369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).