(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate

C18H18ClNO5S — CID 7725647

IUPAC(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO5S/c1-13(21)15-4-8-17(9-5-15)26(23,24)20-11-10-18(22)25-12-14-2-6-16(19)7-3-14/h2-9,20H,10-12H2,1H3
InChIKeyUEYFQRJFUREJKD-UHFFFAOYSA-N
MW395.86 g/mol
LogP2.95
Rot. Bonds8

About (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate

(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate (PubChem CID 7725647) has the molecular formula C18H18ClNO5S and a molecular weight of 395.86 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
PubChem CID7725647
Molecular FormulaC18H18ClNO5S
Molecular Weight395.86 g/mol
Exact Mass395.06
IUPAC Name(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate
SMILESCC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClNO5S/c1-13(21)15-4-8-17(9-5-15)26(23,24)20-11-10-18(22)25-12-14-2-6-16(19)7-3-14/h2-9,20H,10-12H2,1H3
InChIKeyUEYFQRJFUREJKD-UHFFFAOYSA-N
XLogP2.95
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[3-[(4-acetylphenyl)sulfonylamino]propanoyloxymethyl]benzoate
CID 7725653
(4-chlorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913012
(4-methylsulfanylphenyl)methyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738966
propyl 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 43020880
(4-propan-2-ylphenyl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 7168546
ethyl 4-[[2-[(4-chlorophenyl)methoxy]-2-oxoethyl]sulfamoyl]benzoate
CID 7725585
(4-phenylphenyl)methyl 3-(benzenesulfonamido)propanoate
CID 7913084
[2-(3,4-dichlorophenyl)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 34780491
methyl 3-[3-[(4-acetylphenyl)sulfonylamino]propanoylamino]-3-(4-chlorophenyl)propanoate
CID 55439601
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
[2-(diethylamino)-2-oxoethyl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 7738869
(4-fluorophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982280

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The IUPAC name of (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate (CID 7725647) is (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate.
What is the SMILES notation for (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The canonical SMILES for (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate is CC(=O)c1ccc(S(=O)(=O)NCCC(=O)OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate?
The InChIKey is UEYFQRJFUREJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5S/c1-13(21)15-4-8-17(9-5-15)26(23,24)20-11-10-18(22)25-12-14-2-6-16(19)7-3-14/h2-9,20H,10-12H2,1H3.
What are the key properties of (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate?
(4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate has a molecular weight of 395.86 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 3-[(4-acetylphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 7725647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).