2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide

C12H17ClN2O4S — CID 79586204

IUPAC2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C12H17ClN2O4S/c1-9(6-13)8-20(17,18)15-10-2-4-11(5-3-10)19-7-12(14)16/h2-5,9,15H,6-8H2,1H3,(H2,14,16)
InChIKeyXYKPKEQJGKDJFW-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.17
Rot. Bonds8

About 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide

2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide (PubChem CID 79586204) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
PubChem CID79586204
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(OCC(N)=O)cc1
InChIInChI=1S/C12H17ClN2O4S/c1-9(6-13)8-20(17,18)15-10-2-4-11(5-3-10)19-7-12(14)16/h2-5,9,15H,6-8H2,1H3,(H2,14,16)
InChIKeyXYKPKEQJGKDJFW-UHFFFAOYSA-N
XLogP1.17
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
2-[4-(propan-2-ylamino)phenoxy]acetamide
CID 43711183
2-[4-[(2,3,4,5,6-pentamethylphenyl)sulfonylamino]phenoxy]acetamide
CID 35545211
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
3-[4-(chloromethylsulfonylamino)phenoxy]propanamide
CID 63666821
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
2-[4-(1-pyridin-2-ylethylamino)phenoxy]acetamide
CID 43711075
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225
N-[4-(cyanomethoxy)phenyl]-2-methylpropane-1-sulfonamide
CID 62997815
2-[4-[(2-propan-2-yloxyacetyl)amino]phenoxy]acetamide
CID 47412803
2-[(3-chloro-2-methylpropyl)sulfonylamino]benzoic acid
CID 79585334

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide?
The IUPAC name of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide (CID 79586204) is 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide is CC(CCl)CS(=O)(=O)Nc1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide?
The InChIKey is XYKPKEQJGKDJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-9(6-13)8-20(17,18)15-10-2-4-11(5-3-10)19-7-12(14)16/h2-5,9,15H,6-8H2,1H3,(H2,14,16).
What are the key properties of 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide?
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide has a molecular weight of 320.80 g/mol, XLogP of 1.17, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 79586204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).