5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid

C14H11Cl2NO4S — CID 1356288

IUPAC5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c15-11-7-12(16)13(6-10(11)14(18)19)22(20,21)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,18,19)
InChIKeyNLOHTPTUOBAQEO-UHFFFAOYSA-N
MW360.22 g/mol
LogP3.17
Rot. Bonds5

About 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid

5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid (PubChem CID 1356288) has the molecular formula C14H11Cl2NO4S and a molecular weight of 360.22 g/mol. Its IUPAC name is 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid.

Molecular Properties

Compound Name5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid
PubChem CID1356288
Molecular FormulaC14H11Cl2NO4S
Molecular Weight360.22 g/mol
Exact Mass358.98
IUPAC Name5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C14H11Cl2NO4S/c15-11-7-12(16)13(6-10(11)14(18)19)22(20,21)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,18,19)
InChIKeyNLOHTPTUOBAQEO-UHFFFAOYSA-N
XLogP3.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid?
The IUPAC name of 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid (CID 1356288) is 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid.
What is the SMILES notation for 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid?
The canonical SMILES for 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid is O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid?
The InChIKey is NLOHTPTUOBAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NO4S/c15-11-7-12(16)13(6-10(11)14(18)19)22(20,21)17-8-9-4-2-1-3-5-9/h1-7,17H,8H2,(H,18,19).
What are the key properties of 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid?
5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid has a molecular weight of 360.22 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylsulfamoyl)-2,4-dichlorobenzoic acid is sourced from PubChem (CID 1356288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).