2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid

C16H14ClNO5S — CID 14536989

IUPAC2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO5S/c17-13-5-7-14(8-6-13)24(22,23)18-10-15(19)12-3-1-11(2-4-12)9-16(20)21/h1-8,18H,9-10H2,(H,20,21)
InChIKeyUYYZWOLZNMPLEH-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.13
Rot. Bonds7

About 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid

2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid (PubChem CID 14536989) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid
PubChem CID14536989
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC Name2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H14ClNO5S/c17-13-5-7-14(8-6-13)24(22,23)18-10-15(19)12-3-1-11(2-4-12)9-16(20)21/h1-8,18H,9-10H2,(H,20,21)
InChIKeyUYYZWOLZNMPLEH-UHFFFAOYSA-N
XLogP2.13
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-[(4-chlorophenyl)sulfonylamino]-1-methoxyethyl]phenyl]acetic acid
CID 14536982
2-(4-chlorophenyl)-1-(4-methylsulfonylphenyl)ethanone
CID 11438271
2-[4-[2-[(4-acetylphenyl)sulfonylamino]ethyl]phenyl]acetic acid
CID 12945846
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
(2S)-2-[[4-[4-[2-(4-chlorophenyl)-2-oxoethyl]phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 59150919
2-[4-[2-(carbamoylamino)ethylsulfamoyl]phenyl]acetic acid
CID 83116835
2-[4-[3-(4-chlorophenyl)sulfonylpropyl]phenyl]acetic acid
CID 15612083
2-[(4-butanoylphenyl)sulfonylamino]acetic acid
CID 82164610
2-[4-[(2-fluoro-2-methylpropyl)sulfamoyl]phenyl]acetic acid
CID 146137544
2-[4-(2,3-dimethylbutylsulfamoyl)phenyl]acetic acid
CID 64568245
2-[[4-(3-methylbutanoyl)phenyl]sulfonylamino]acetic acid
CID 82165197
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid (CID 14536989) is 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid is O=C(O)Cc1ccc(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid?
The InChIKey is UYYZWOLZNMPLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c17-13-5-7-14(8-6-13)24(22,23)18-10-15(19)12-3-1-11(2-4-12)9-16(20)21/h1-8,18H,9-10H2,(H,20,21).
What are the key properties of 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid?
2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid has a molecular weight of 367.81 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[(4-chlorophenyl)sulfonylamino]acetyl]phenyl]acetic acid is sourced from PubChem (CID 14536989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).