[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate

C16H16ClNO4S — CID 47583628

IUPAC[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate
SMILESCS(=O)(=O)Nc1ccc(OC(=O)CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-23(20,21)18-14-6-8-15(9-7-14)22-16(19)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11,18H,5,10H2,1H3
InChIKeyYQQOFMUZSSMYIL-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.25
Rot. Bonds6

About [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate

[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate (PubChem CID 47583628) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate.

Molecular Properties

Compound Name[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate
PubChem CID47583628
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate
SMILESCS(=O)(=O)Nc1ccc(OC(=O)CCc2cccc(Cl)c2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-23(20,21)18-14-6-8-15(9-7-14)22-16(19)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11,18H,5,10H2,1H3
InChIKeyYQQOFMUZSSMYIL-UHFFFAOYSA-N
XLogP3.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chlorophenyl) 3-(3-chlorophenyl)propanoate
CID 1407466
1-[2-(3-chlorophenyl)ethyl]-3-[4-(methanesulfonamido)phenyl]urea
CID 108875433
N-[4-[2-(3-chlorophenyl)acetyl]phenyl]methanesulfonamide
CID 62505094
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
(4-acetamidophenyl) 3-(4-chlorophenyl)propanoate
CID 51277629
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
[4-(methanesulfonamido)phenyl] 5-chloro-2-(ethylamino)benzoate
CID 99802669
2-methylsulfanylethyl 3-(3-chlorophenyl)propanoate
CID 78832630
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
(2S)-N-(3-chlorophenyl)-2-[4-(methanesulfonamido)anilino]propanamide
CID 31267963
N-[4-(4-chlorophenoxy)phenyl]methanesulfonamide
CID 17283107
3-(3-chlorophenyl)propanoate
CID 6946708

Frequently Asked Questions

What is the IUPAC name of [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate?
The IUPAC name of [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate (CID 47583628) is [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate.
What is the SMILES notation for [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate?
The canonical SMILES for [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate is CS(=O)(=O)Nc1ccc(OC(=O)CCc2cccc(Cl)c2)cc1.
What is the InChIKey of [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate?
The InChIKey is YQQOFMUZSSMYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-23(20,21)18-14-6-8-15(9-7-14)22-16(19)10-5-12-3-2-4-13(17)11-12/h2-4,6-9,11,18H,5,10H2,1H3.
What are the key properties of [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate?
[4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate has a molecular weight of 353.83 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methanesulfonamido)phenyl] 3-(3-chlorophenyl)propanoate is sourced from PubChem (CID 47583628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).