2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid

C17H17ClO4S — CID 15612083

IUPAC2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO4S/c18-15-7-9-16(10-8-15)23(21,22)11-1-2-13-3-5-14(6-4-13)12-17(19)20/h3-10H,1-2,11-12H2,(H,19,20)
InChIKeyVLMZAUCKMYJSGM-UHFFFAOYSA-N
MW352.84 g/mol
LogP3.37
Rot. Bonds7

About 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid

2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid (PubChem CID 15612083) has the molecular formula C17H17ClO4S and a molecular weight of 352.84 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
PubChem CID15612083
Molecular FormulaC17H17ClO4S
Molecular Weight352.84 g/mol
Exact Mass352.05
IUPAC Name2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO4S/c18-15-7-9-16(10-8-15)23(21,22)11-1-2-13-3-5-14(6-4-13)12-17(19)20/h3-10H,1-2,11-12H2,(H,19,20)
InChIKeyVLMZAUCKMYJSGM-UHFFFAOYSA-N
XLogP3.37
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
N-[5-[3-(4-chlorophenyl)sulfonylpropyl]-2-hydroxyphenyl]acetamide
CID 70101066
3-(4-chlorophenyl)propane-1-sulfonate
CID 23047341
2-[4-[4-(3-methoxypropylsulfonyl)phenyl]phenyl]acetic acid
CID 58150647
2-[4-(3-methylbutylsulfonyl)phenyl]acetic acid
CID 43440376
3-(4-chlorophenyl)propane-1-sulfonyl chloride
CID 23081194
2-[4-[(3-chlorophenyl)methylsulfonyl]phenyl]acetic acid
CID 43440403
2-[4-[4-(3-bromophenyl)sulfonylbutyl]phenyl]acetic acid
CID 14442101
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
CID 71972664

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid (CID 15612083) is 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid is O=C(O)Cc1ccc(CCCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid?
The InChIKey is VLMZAUCKMYJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO4S/c18-15-7-9-16(10-8-15)23(21,22)11-1-2-13-3-5-14(6-4-13)12-17(19)20/h3-10H,1-2,11-12H2,(H,19,20).
What are the key properties of 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid?
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid has a molecular weight of 352.84 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid is sourced from PubChem (CID 15612083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).