N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide

C12H17ClN2O4S — CID 82922015

IUPACN-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-2-3-6-15-12(16)8-19-11-5-4-9(7-10(11)13)20(14,17)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyOYJGMVYWRJCKHD-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.28
Rot. Bonds7

About N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide

N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide (PubChem CID 82922015) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
PubChem CID82922015
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC NameN-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H17ClN2O4S/c1-2-3-6-15-12(16)8-19-11-5-4-9(7-10(11)13)20(14,17)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyOYJGMVYWRJCKHD-UHFFFAOYSA-N
XLogP1.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.28
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

2-(2-chloro-4-sulfamoylphenoxy)-N-ethylacetamide
CID 82921286
N-butyl-2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)acetamide
CID 5104659
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)propanamide
CID 82913977
2-(2,4-dichlorophenoxy)-N-octylacetamide
CID 4555196
methyl 3-chloro-4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethoxy]benzoate
CID 55578270
2-(2-chloro-4-nitrophenoxy)-N-hexylacetamide
CID 8587910
2-(2-bromo-4-chlorophenoxy)-N-pentylacetamide
CID 19201316
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
2-[2-(butylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 26217578
2-(2-amino-5-chlorophenoxy)-N-butylacetamide
CID 62305003
2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]-N-(2-hydroxyethyl)acetamide
CID 3304224
2-(2-bromo-4-chlorophenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2627423

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide?
The IUPAC name of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide (CID 82922015) is N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide is CCCCNC(=O)COc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide?
The InChIKey is OYJGMVYWRJCKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-2-3-6-15-12(16)8-19-11-5-4-9(7-10(11)13)20(14,17)18/h4-5,7H,2-3,6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide?
N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide has a molecular weight of 320.80 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-chloro-4-sulfamoylphenoxy)acetamide is sourced from PubChem (CID 82922015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).