5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide

C21H25BrN2O5S — CID 24663322

IUPAC5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C21H25BrN2O5S/c1-4-28-19-10-9-16(22)11-20(19)30(26,27)23-18-8-6-5-7-17(18)21(25)24-12-14(2)29-15(3)13-24/h5-11,14-15,23H,4,12-13H2,1-3H3
InChIKeyUUVDBXVZTAEDML-UHFFFAOYSA-N
MW497.41 g/mol
LogP3.90
Rot. Bonds6

About 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide

5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide (PubChem CID 24663322) has the molecular formula C21H25BrN2O5S and a molecular weight of 497.41 g/mol. Its IUPAC name is 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
PubChem CID24663322
Molecular FormulaC21H25BrN2O5S
Molecular Weight497.41 g/mol
Exact Mass496.07
IUPAC Name5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide
SMILESCCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)N1CC(C)OC(C)C1
InChIInChI=1S/C21H25BrN2O5S/c1-4-28-19-10-9-16(22)11-20(19)30(26,27)23-18-8-6-5-7-17(18)21(25)24-12-14(2)29-15(3)13-24/h5-11,14-15,23H,4,12-13H2,1-3H3
InChIKeyUUVDBXVZTAEDML-UHFFFAOYSA-N
XLogP3.90
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
4-butan-2-yl-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663349
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-difluorobenzenesulfonamide
CID 24663333
8-[(5-bromo-2-ethoxyphenyl)sulfonylamino]naphthalene-1-carboxylic acid
CID 2432126
5-bromo-2-ethoxy-N-naphthalen-1-ylbenzenesulfonamide
CID 2394336
(2,6-dimethylmorpholin-4-yl)-[2-(propylamino)phenyl]methanone
CID 62171334
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-3,4-dihydronaphthalene-2-sulfonamide
CID 24663378
5-bromo-N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-ethoxybenzenesulfonamide
CID 2161250
4-cyano-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]benzenesulfonamide
CID 24663361
3-[4-[[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]sulfamoyl]phenyl]propanoic acid
CID 24663379
N-[2-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 30825076
(5-amino-2-ethoxyphenyl)-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 28690020

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide (CID 24663322) is 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide is CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)N1CC(C)OC(C)C1.
What is the InChIKey of 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide?
The InChIKey is UUVDBXVZTAEDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O5S/c1-4-28-19-10-9-16(22)11-20(19)30(26,27)23-18-8-6-5-7-17(18)21(25)24-12-14(2)29-15(3)13-24/h5-11,14-15,23H,4,12-13H2,1-3H3.
What are the key properties of 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide?
5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide has a molecular weight of 497.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-2-ethoxybenzenesulfonamide is sourced from PubChem (CID 24663322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).