2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide

C13H17BrN2O4S — CID 82916266

IUPAC2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17BrN2O4S/c14-9-5-6-11(12(7-9)21(15,18)19)20-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)(H2,15,18,19)
InChIKeyREBUWEMRTNHZEI-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.53
Rot. Bonds5

About 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide

2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide (PubChem CID 82916266) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
PubChem CID82916266
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCC(=O)NC1CCCC1
InChIInChI=1S/C13H17BrN2O4S/c14-9-5-6-11(12(7-9)21(15,18)19)20-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)(H2,15,18,19)
InChIKeyREBUWEMRTNHZEI-UHFFFAOYSA-N
XLogP1.53
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-fluoro-2-sulfamoylphenoxy)acetamide
CID 82916135
2-(2-amino-4-bromophenoxy)-N-cycloheptylacetamide
CID 65430153
2-(4-bromo-2-sulfamoylphenoxy)-N-ethylacetamide
CID 82914401
N-cyclopropyl-2-(4-nitro-2-sulfamoylphenoxy)acetamide
CID 82913033
2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
CID 19201445
2-(4-bromo-2-sulfamoylphenoxy)-N-(3-methylbutan-2-yl)acetamide
CID 82916940
N-cyclopropyl-2-(2,3-dimethyl-4-sulfamoylphenoxy)acetamide
CID 82921851
2-[2-(2-aminoethyl)-4-bromophenoxy]-N-cyclopropylacetamide
CID 54931519
2-(4-bromo-2-carbamothioylphenoxy)-N-cyclopropylacetamide
CID 83144814
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
1-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-3-cyclohexylurea
CID 4981145
[2-(cycloheptylamino)-2-oxoethyl] 4-[(5-bromo-2-ethoxyphenyl)sulfonylamino]benzoate
CID 4107437

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide?
The IUPAC name of 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide (CID 82916266) is 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide?
The canonical SMILES for 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide is NS(=O)(=O)c1cc(Br)ccc1OCC(=O)NC1CCCC1.
What is the InChIKey of 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide?
The InChIKey is REBUWEMRTNHZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c14-9-5-6-11(12(7-9)21(15,18)19)20-8-13(17)16-10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)(H2,15,18,19).
What are the key properties of 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide?
2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide has a molecular weight of 377.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-sulfamoylphenoxy)-N-cyclopentylacetamide is sourced from PubChem (CID 82916266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).