3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

C16H17BrN2O4S — CID 18161967

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-23-10-9-18-16(20)12-3-2-4-14(11-12)19-24(21,22)15-7-5-13(17)6-8-15/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyQLDCRTKQSVBTHQ-UHFFFAOYSA-N
MW413.29 g/mol
LogP2.63
Rot. Bonds7

About 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide

3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 18161967) has the molecular formula C16H17BrN2O4S and a molecular weight of 413.29 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
PubChem CID18161967
Molecular FormulaC16H17BrN2O4S
Molecular Weight413.29 g/mol
Exact Mass412.01
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O4S/c1-23-10-9-18-16(20)12-3-2-4-14(11-12)19-24(21,22)15-7-5-13(17)6-8-15/h2-8,11,19H,9-10H2,1H3,(H,18,20)
InChIKeyQLDCRTKQSVBTHQ-UHFFFAOYSA-N
XLogP2.63
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.29
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-(phenylsulfamoyl)benzamide
CID 19257386
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
N-(2-methoxyethyl)-3-(pyridin-3-ylsulfonylamino)benzamide
CID 118572860
N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[2-(4-methoxyphenoxy)ethyl]-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 24504263
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-(3-methoxypropyl)benzamide
CID 26593247
methyl 4-[(3-bromophenyl)sulfamoyl]benzoate
CID 40687836
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
3-[(4-bromophenyl)sulfonylamino]-N-phenylmethoxybenzamide
CID 26372769
3-[(4-bromophenyl)sulfonylamino]-N-(2-methylphenyl)benzamide
CID 26538067
4-[(2,6-dimethylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 109059730
3-[(2-bromo-5-methylphenyl)sulfamoyl]-N-(2-methoxyethyl)benzamide
CID 26500853

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide (CID 18161967) is 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is QLDCRTKQSVBTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O4S/c1-23-10-9-18-16(20)12-3-2-4-14(11-12)19-24(21,22)15-7-5-13(17)6-8-15/h2-8,11,19H,9-10H2,1H3,(H,18,20).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 413.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 18161967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).