methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate

C23H20ClNO5S — CID 67440953

IUPACmethyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClNO5S/c1-30-22(26)16-9-17-7-14-21(15-8-17)31(28,29)25(20-12-10-19(24)11-13-20)23(27)18-5-3-2-4-6-18/h2-8,10-15H,9,16H2,1H3
InChIKeyOJRJUHALOWARAF-UHFFFAOYSA-N
MW457.94 g/mol
LogP4.48
Rot. Bonds7

About methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate

methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate (PubChem CID 67440953) has the molecular formula C23H20ClNO5S and a molecular weight of 457.94 g/mol. Its IUPAC name is methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate
PubChem CID67440953
Molecular FormulaC23H20ClNO5S
Molecular Weight457.94 g/mol
Exact Mass457.08
IUPAC Namemethyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate
SMILESCOC(=O)CCc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H20ClNO5S/c1-30-22(26)16-9-17-7-14-21(15-8-17)31(28,29)25(20-12-10-19(24)11-13-20)23(27)18-5-3-2-4-6-18/h2-8,10-15H,9,16H2,1H3
InChIKeyOJRJUHALOWARAF-UHFFFAOYSA-N
XLogP4.48
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-[(4-chlorophenyl)-(6-methylpyridine-3-carbonyl)sulfamoyl]phenyl]propanoate
CID 66660728
N-(4-butylphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19210617
N-(4-chlorophenyl)sulfonyl-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 19211456
4-chloro-N-[4-[(4-chlorobenzoyl)-naphthalen-2-ylsulfonylamino]phenyl]-N-naphthalen-2-ylsulfonylbenzamide
CID 3436129
3-[N-(benzenesulfonyl)-4-chloroanilino]propanoic acid
CID 50890227
methyl 3-[4-(N-[4-[4-[4-(3-methoxy-3-oxopropyl)-N-(4-phenylphenyl)anilino]phenyl]phenyl]-4-phenylanilino)phenyl]propanoate
CID 22335995
methyl 3-[4-[5-[4-(3-methoxy-3-oxopropyl)-N-(4-methylphenyl)sulfonylanilino]pentyl-(4-methylphenyl)sulfonylamino]phenyl]propanoate
CID 10485120
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
N-(benzenesulfonyl)-4-bromo-N-(4-ethylphenyl)benzamide
CID 19210712
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[3-(4-methoxyphenyl)propyl]acetamide
CID 30201233
N-[3-(4-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226858
methyl 3-[4-[4-[2-[4-[4-(3-methoxy-3-oxopropyl)-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]ethyl]-N-[4-(3-methoxy-3-oxopropyl)phenyl]anilino]phenyl]propanoate
CID 71277676

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate?
The IUPAC name of methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate (CID 67440953) is methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate is COC(=O)CCc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate?
The InChIKey is OJRJUHALOWARAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO5S/c1-30-22(26)16-9-17-7-14-21(15-8-17)31(28,29)25(20-12-10-19(24)11-13-20)23(27)18-5-3-2-4-6-18/h2-8,10-15H,9,16H2,1H3.
What are the key properties of methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate?
methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate has a molecular weight of 457.94 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[benzoyl-(4-chlorophenyl)sulfamoyl]phenyl]propanoate is sourced from PubChem (CID 67440953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).