2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid

C16H15ClO4S — CID 21496294

IUPAC2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid
SMILESCC(c1ccc(-c2ccccc2Cl)cc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C16H15ClO4S/c1-11(22(20,21)10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyYVUQKQDPSQFEDS-UHFFFAOYSA-N
MW338.81 g/mol
LogP3.57
Rot. Bonds5

About 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid

2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid (PubChem CID 21496294) has the molecular formula C16H15ClO4S and a molecular weight of 338.81 g/mol. Its IUPAC name is 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid
PubChem CID21496294
Molecular FormulaC16H15ClO4S
Molecular Weight338.81 g/mol
Exact Mass338.04
IUPAC Name2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid
SMILESCC(c1ccc(-c2ccccc2Cl)cc1)S(=O)(=O)CC(=O)O
InChIInChI=1S/C16H15ClO4S/c1-11(22(20,21)10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H,18,19)
InChIKeyYVUQKQDPSQFEDS-UHFFFAOYSA-N
XLogP3.57
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-chlorophenyl)phenyl]-3-methylbutanoic acid
CID 82543182
2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfanyl]acetamide
CID 54454820
2-[2-chloro-4-(2-chlorophenyl)phenyl]acetic acid
CID 176516186
propyl 2-[1-[4-(2-fluorophenyl)phenyl]ethylsulfonyl]acetate
CID 54262348
2-[4-(2-chlorophenyl)phenyl]hex-4-ynoic acid
CID 175477271
4-(2-chlorophenyl)benzenesulfonic acid
CID 82134205
2-[4-(2-chlorophenyl)phenyl]-2-(ethylcarbamoylsulfanyl)acetic acid
CID 54353825
2-but-2-enoylsulfanyl-2-[4-(2-chlorophenyl)phenyl]acetic acid
CID 54006446
3-[4-chloro-3-(2-methylphenyl)phenyl]butanoic acid
CID 82543323
3-[4-chloro-3-(2-fluorophenyl)phenyl]butanoic acid
CID 82543264
1-fluoro-2-[4-(1-methylsulfonylethyl)phenyl]benzene
CID 21496263
4-(2-chlorophenyl)-N-methylbenzenesulfonamide
CID 174761183

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid?
The IUPAC name of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid (CID 21496294) is 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid.
What is the SMILES notation for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid?
The canonical SMILES for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid is CC(c1ccc(-c2ccccc2Cl)cc1)S(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid?
The InChIKey is YVUQKQDPSQFEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO4S/c1-11(22(20,21)10-16(18)19)12-6-8-13(9-7-12)14-4-2-3-5-15(14)17/h2-9,11H,10H2,1H3,(H,18,19).
What are the key properties of 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid?
2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid has a molecular weight of 338.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-chlorophenyl)phenyl]ethylsulfonyl]acetic acid is sourced from PubChem (CID 21496294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).