2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide

C14H13BrN2O4S — CID 1120128

IUPAC2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O4S/c15-10-2-1-3-12(8-10)21-9-14(18)17-11-4-6-13(7-5-11)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeySRQKHJSGAMLZKB-UHFFFAOYSA-N
MW385.24 g/mol
LogP2.11
Rot. Bonds5

About 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide

2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 1120128) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
PubChem CID1120128
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Name2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)COc2cccc(Br)c2)cc1
InChIInChI=1S/C14H13BrN2O4S/c15-10-2-1-3-12(8-10)21-9-14(18)17-11-4-6-13(7-5-11)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeySRQKHJSGAMLZKB-UHFFFAOYSA-N
XLogP2.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
CID 18870118
[2-(4-chloroanilino)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7695103
2-(3-bromophenoxy)-N-(4-butylphenyl)acetamide
CID 19171423
2-[3,5-bis(trifluoromethyl)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 2080031
2-(3-bromophenoxy)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9012584
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7970608
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470
phenyl 4-[[2-(3-bromophenoxy)acetyl]amino]-2-hydroxybenzoate
CID 19171429

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide (CID 1120128) is 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is SRQKHJSGAMLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c15-10-2-1-3-12(8-10)21-9-14(18)17-11-4-6-13(7-5-11)22(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide?
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 385.24 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 1120128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).