3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid

C15H14ClNO4S — CID 45415334

IUPAC3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO4S/c16-13-5-1-3-11(9-13)7-8-17-22(20,21)14-6-2-4-12(10-14)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19)
InChIKeyPLXFUYNMQRTZGO-UHFFFAOYSA-N
MW339.80 g/mol
LogP2.56
Rot. Bonds6

About 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid

3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid (PubChem CID 45415334) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid
PubChem CID45415334
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid
SMILESO=C(O)c1cccc(S(=O)(=O)NCCc2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO4S/c16-13-5-1-3-11(9-13)7-8-17-22(20,21)14-6-2-4-12(10-14)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19)
InChIKeyPLXFUYNMQRTZGO-UHFFFAOYSA-N
XLogP2.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid (CID 45415334) is 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid is O=C(O)c1cccc(S(=O)(=O)NCCc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid?
The InChIKey is PLXFUYNMQRTZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c16-13-5-1-3-11(9-13)7-8-17-22(20,21)14-6-2-4-12(10-14)15(18)19/h1-6,9-10,17H,7-8H2,(H,18,19).
What are the key properties of 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid?
3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid has a molecular weight of 339.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 45415334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).