3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid

C15H14ClNO5S — CID 2396435

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO5S/c1-22-13-7-4-11(15(18)19)8-14(13)23(20,21)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyDEIJFDZNLYJJDJ-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.53
Rot. Bonds6

About 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid

3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid (PubChem CID 2396435) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid
PubChem CID2396435
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO5S/c1-22-13-7-4-11(15(18)19)8-14(13)23(20,21)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19)
InChIKeyDEIJFDZNLYJJDJ-UHFFFAOYSA-N
XLogP2.53
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid (CID 2396435) is 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid?
The InChIKey is DEIJFDZNLYJJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-22-13-7-4-11(15(18)19)8-14(13)23(20,21)17-9-10-2-5-12(16)6-3-10/h2-8,17H,9H2,1H3,(H,18,19).
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid?
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid has a molecular weight of 355.80 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzoic acid is sourced from PubChem (CID 2396435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).