5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide

C15H16ClNO4S — CID 802882

IUPAC5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C15H16ClNO4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyQSJHPXREXIYYRP-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.55
Rot. Bonds6

About 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide

5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide (PubChem CID 802882) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
PubChem CID802882
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1
InChIInChI=1S/C15H16ClNO4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3H2,1-2H3
InChIKeyQSJHPXREXIYYRP-UHFFFAOYSA-N
XLogP3.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.82
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide (CID 802882) is 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC)cc1.
What is the InChIKey of 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
The InChIKey is QSJHPXREXIYYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-3-21-13-7-5-12(6-8-13)17-22(18,19)15-10-11(16)4-9-14(15)20-2/h4-10,17H,3H2,1-2H3.
What are the key properties of 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide?
5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide has a molecular weight of 341.82 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethoxyphenyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 802882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).