N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

C18H18Br2N2O5S — CID 16561045

IUPACN-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C18H18Br2N2O5S/c1-26-17-5-3-13(28(24,25)22-6-8-27-9-7-22)11-14(17)18(23)21-16-4-2-12(19)10-15(16)20/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyUKQUUGTYCKHFKP-UHFFFAOYSA-N
MW534.23 g/mol
LogP3.49
Rot. Bonds5

About N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide

N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 16561045) has the molecular formula C18H18Br2N2O5S and a molecular weight of 534.23 g/mol. Its IUPAC name is N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
PubChem CID16561045
Molecular FormulaC18H18Br2N2O5S
Molecular Weight534.23 g/mol
Exact Mass531.93
IUPAC NameN-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Br)cc1Br
InChIInChI=1S/C18H18Br2N2O5S/c1-26-17-5-3-13(28(24,25)22-6-8-27-9-7-22)11-14(17)18(23)21-16-4-2-12(19)10-15(16)20/h2-5,10-11H,6-9H2,1H3,(H,21,23)
InChIKeyUKQUUGTYCKHFKP-UHFFFAOYSA-N
XLogP3.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.23
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chlorophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 18195774
5-bromo-2-methoxy-N-[(4-morpholin-4-ylsulfonylphenyl)carbamothioyl]benzamide
CID 17094493
methyl 2,4-difluoro-5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 24659342
dimethyl 5-[(2-methoxy-5-morpholin-4-ylsulfonylbenzoyl)amino]benzene-1,3-dicarboxylate
CID 26737021
N-cyclopropyl-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 26736864
2-chloro-N-(5-chloro-2,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26210560
N-(2,4-dimethylpentan-3-yl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide
CID 28591079
2,4,5-trimethoxy-N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 4857247
N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)-4-sulfamoylbenzamide
CID 24636022
2-methoxy-N'-(4-methoxybenzoyl)-5-morpholin-4-ylsulfonylbenzohydrazide
CID 24536047
2-chloro-N-(3-chloro-4-methoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26822987
2-chloro-N-(3,4-dimethoxyphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 26364799

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide (CID 16561045) is N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(Br)cc1Br.
What is the InChIKey of N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is UKQUUGTYCKHFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Br2N2O5S/c1-26-17-5-3-13(28(24,25)22-6-8-27-9-7-22)11-14(17)18(23)21-16-4-2-12(19)10-15(16)20/h2-5,10-11H,6-9H2,1H3,(H,21,23).
What are the key properties of N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide?
N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 534.23 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dibromophenyl)-2-methoxy-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 16561045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).