2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide

C17H19ClN2O4S — CID 58916978

IUPAC2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(COc1ccc(Cl)cc1)(NS(=O)(=O)Cc1ccccc1)C(N)=O
InChIInChI=1S/C17H19ClN2O4S/c1-17(16(19)21,12-24-15-9-7-14(18)8-10-15)20-25(22,23)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H2,19,21)
InChIKeyWQRPCFUSSCVVOE-UHFFFAOYSA-N
MW382.87 g/mol
LogP2.08
Rot. Bonds8

About 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide

2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide (PubChem CID 58916978) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide.

Molecular Properties

Compound Name2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide
PubChem CID58916978
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide
SMILESCC(COc1ccc(Cl)cc1)(NS(=O)(=O)Cc1ccccc1)C(N)=O
InChIInChI=1S/C17H19ClN2O4S/c1-17(16(19)21,12-24-15-9-7-14(18)8-10-15)20-25(22,23)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H2,19,21)
InChIKeyWQRPCFUSSCVVOE-UHFFFAOYSA-N
XLogP2.08
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylsulfonylamino)-N-(4-chlorophenyl)-2-methyl-3-[4-(1,2,4-triazol-1-yl)phenoxy]propanamide
CID 66921591
methyl 4-[2-(benzylsulfonylamino)-2-cyanopropoxy]benzoate
CID 68800951
3-(benzylsulfonylamino)-3-methylbutanoic acid
CID 64700945
dimethyl 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioate
CID 66921686
N-[1-(4-acetylphenoxy)-2-cyanobutan-2-yl]-1-phenylmethanesulfonamide
CID 68799103
2-(4-chlorophenoxy)-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 84568280
3-[4-(4-chlorophenoxy)phenoxy]-2,2-dimethylpropanoic acid
CID 146594283
4-(4-chlorophenoxy)-3-hydroxy-3-methylbutan-2-one
CID 58234227
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
N-(5-hydroxy-2,5-dimethylhex-3-yn-2-yl)-1-phenylmethanesulfonamide
CID 167754039
1-(4-chlorophenoxy)-N-methyl-3-phenylpropan-2-amine
CID 105084979
benzene;3-(4-ethoxyphenoxy)-2-(methanesulfonamido)-N,2-dimethylpropanamide
CID 66921646

Frequently Asked Questions

What is the IUPAC name of 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide?
The IUPAC name of 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide (CID 58916978) is 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide.
What is the SMILES notation for 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide?
The canonical SMILES for 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide is CC(COc1ccc(Cl)cc1)(NS(=O)(=O)Cc1ccccc1)C(N)=O.
What is the InChIKey of 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide?
The InChIKey is WQRPCFUSSCVVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-17(16(19)21,12-24-15-9-7-14(18)8-10-15)20-25(22,23)11-13-5-3-2-4-6-13/h2-10,20H,11-12H2,1H3,(H2,19,21).
What are the key properties of 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide?
2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide has a molecular weight of 382.87 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylsulfonylamino)-3-(4-chlorophenoxy)-2-methylpropanamide is sourced from PubChem (CID 58916978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).