methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate

C15H14ClNO5S — CID 604621

IUPACmethyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H14ClNO5S/c1-21-14-9-13(12(16)8-11(14)15(18)22-2)17-23(19,20)10-6-4-3-5-7-10/h3-9,17H,1-2H3
InChIKeyAEQVSNRZXZYCGV-UHFFFAOYSA-N
MW355.80 g/mol
LogP2.94
Rot. Bonds5

About methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate

methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate (PubChem CID 604621) has the molecular formula C15H14ClNO5S and a molecular weight of 355.80 g/mol. Its IUPAC name is methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate
PubChem CID604621
Molecular FormulaC15H14ClNO5S
Molecular Weight355.80 g/mol
Exact Mass355.03
IUPAC Namemethyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C15H14ClNO5S/c1-21-14-9-13(12(16)8-11(14)15(18)22-2)17-23(19,20)10-6-4-3-5-7-10/h3-9,17H,1-2H3
InChIKeyAEQVSNRZXZYCGV-UHFFFAOYSA-N
XLogP2.94
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate?
The IUPAC name of methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate (CID 604621) is methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate.
What is the SMILES notation for methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate?
The canonical SMILES for methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate is COC(=O)c1cc(Cl)c(NS(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate?
The InChIKey is AEQVSNRZXZYCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO5S/c1-21-14-9-13(12(16)8-11(14)15(18)22-2)17-23(19,20)10-6-4-3-5-7-10/h3-9,17H,1-2H3.
What are the key properties of methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate?
methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate has a molecular weight of 355.80 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(benzenesulfonamido)-5-chloro-2-methoxybenzoate is sourced from PubChem (CID 604621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).