3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid

C15H13Cl2NO4S — CID 9234830

IUPAC3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO4S/c16-13-7-4-11(9-14(13)17)18-23(21,22)12-5-1-10(2-6-12)3-8-15(19)20/h1-2,4-7,9,18H,3,8H2,(H,19,20)
InChIKeyZXFLDSNJXXQSJU-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.81
Rot. Bonds6

About 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid

3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid (PubChem CID 9234830) has the molecular formula C15H13Cl2NO4S and a molecular weight of 374.25 g/mol. Its IUPAC name is 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
PubChem CID9234830
Molecular FormulaC15H13Cl2NO4S
Molecular Weight374.25 g/mol
Exact Mass372.99
IUPAC Name3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C15H13Cl2NO4S/c16-13-7-4-11(9-14(13)17)18-23(21,22)12-5-1-10(2-6-12)3-8-15(19)20/h1-2,4-7,9,18H,3,8H2,(H,19,20)
InChIKeyZXFLDSNJXXQSJU-UHFFFAOYSA-N
XLogP3.81
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-phenylurea
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3-[4-(dibenzofuran-2-ylsulfamoyl)phenyl]propanoic acid
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3-[4-[[4,5-dichloro-2-(thiophen-2-ylsulfonylamino)phenyl]sulfamoyl]phenyl]propanoic acid
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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid (CID 9234830) is 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid is O=C(O)CCc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid?
The InChIKey is ZXFLDSNJXXQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO4S/c16-13-7-4-11(9-14(13)17)18-23(21,22)12-5-1-10(2-6-12)3-8-15(19)20/h1-2,4-7,9,18H,3,8H2,(H,19,20).
What are the key properties of 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid?
3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid has a molecular weight of 374.25 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]propanoic acid is sourced from PubChem (CID 9234830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).