N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide

C12H16BrN3O4S — CID 66428260

IUPACN-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CC2CNCCO2)c(Br)c1
InChIInChI=1S/C12H16BrN3O4S/c13-10-6-9(21(14,18)19)1-2-11(10)16-12(17)5-8-7-15-3-4-20-8/h1-2,6,8,15H,3-5,7H2,(H,16,17)(H2,14,18,19)
InChIKeyOXVIPFAMTHNIFP-UHFFFAOYSA-N
MW378.25 g/mol
LogP0.41
Rot. Bonds4

About N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide

N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide (PubChem CID 66428260) has the molecular formula C12H16BrN3O4S and a molecular weight of 378.25 g/mol. Its IUPAC name is N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide
PubChem CID66428260
Molecular FormulaC12H16BrN3O4S
Molecular Weight378.25 g/mol
Exact Mass377.00
IUPAC NameN-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CC2CNCCO2)c(Br)c1
InChIInChI=1S/C12H16BrN3O4S/c13-10-6-9(21(14,18)19)1-2-11(10)16-12(17)5-8-7-15-3-4-20-8/h1-2,6,8,15H,3-5,7H2,(H,16,17)(H2,14,18,19)
InChIKeyOXVIPFAMTHNIFP-UHFFFAOYSA-N
XLogP0.41
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-bromo-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 103808527
2-morpholin-2-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide;hydrochloride
CID 119673762
N-(3-bromo-4-methylphenyl)-2-morpholin-2-ylacetamide
CID 66427265
N-(4-bromo-3-fluorophenyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 119706261
(3S)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125110
(3R)-N-(2-bromo-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 81125256
N-(5-fluoro-2-methylphenyl)-2-morpholin-2-ylacetamide
CID 66432981
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-morpholin-2-ylacetamide
CID 66434951
N-(2-chloro-5-fluorophenyl)-2-morpholin-2-ylacetamide
CID 113266175
N-(2-methyl-5-sulfamoylphenyl)-2-(oxolan-2-yl)acetamide
CID 65159878
2-morpholin-2-yl-N-phenylacetamide;hydrochloride
CID 119670265
N-(3,5-difluorophenyl)-2-morpholin-2-ylacetamide
CID 66433764

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide (CID 66428260) is N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide is NS(=O)(=O)c1ccc(NC(=O)CC2CNCCO2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide?
The InChIKey is OXVIPFAMTHNIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3O4S/c13-10-6-9(21(14,18)19)1-2-11(10)16-12(17)5-8-7-15-3-4-20-8/h1-2,6,8,15H,3-5,7H2,(H,16,17)(H2,14,18,19).
What are the key properties of N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide?
N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide has a molecular weight of 378.25 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-sulfamoylphenyl)-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66428260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).