2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid

C15H13Cl2NO5S — CID 1314666

IUPAC2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
SMILESCOc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-18(9-3-5-10(23-2)6-4-9)24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8H,1-2H3,(H,19,20)
InChIKeyBPEXNMMVTSZROF-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.53
Rot. Bonds5

About 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid

2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid (PubChem CID 1314666) has the molecular formula C15H13Cl2NO5S and a molecular weight of 390.24 g/mol. Its IUPAC name is 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
PubChem CID1314666
Molecular FormulaC15H13Cl2NO5S
Molecular Weight390.24 g/mol
Exact Mass388.99
IUPAC Name2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
SMILESCOc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1
InChIInChI=1S/C15H13Cl2NO5S/c1-18(9-3-5-10(23-2)6-4-9)24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8H,1-2H3,(H,19,20)
InChIKeyBPEXNMMVTSZROF-UHFFFAOYSA-N
XLogP3.53
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid (CID 1314666) is 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid is COc1ccc(N(C)S(=O)(=O)c2cc(C(=O)O)c(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The InChIKey is BPEXNMMVTSZROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO5S/c1-18(9-3-5-10(23-2)6-4-9)24(21,22)14-7-11(15(19)20)12(16)8-13(14)17/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid has a molecular weight of 390.24 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 1314666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).