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

C15H14ClNO5S — CID 2342177

IUPAC2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14ClNO5S/c1-17(10-3-5-11(22-2)6-4-10)23(20,21)12-7-8-14(16)13(9-12)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyAPWASPNYSYXNHS-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.87
Rot. Bonds5

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

2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid (PubChem CID 2342177) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
PubChem CID2342177
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Name2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1
InChIInChI=1S/C15H14ClNO5S/c1-17(10-3-5-11(22-2)6-4-10)23(20,21)12-7-8-14(16)13(9-12)15(18)19/h3-9H,1-2H3,(H,18,19)
InChIKeyAPWASPNYSYXNHS-UHFFFAOYSA-N
XLogP2.87
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid (CID 2342177) is 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid is COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1.
What is the InChIKey of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
The InChIKey is APWASPNYSYXNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-17(10-3-5-11(22-2)6-4-10)23(20,21)12-7-8-14(16)13(9-12)15(18)19/h3-9H,1-2H3,(H,18,19).
What are the key properties of 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid?
2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid has a molecular weight of 355.80 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-methoxyphenyl)-methylsulfamoyl]benzoic acid is sourced from PubChem (CID 2342177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).