4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide

C15H16ClNO4S — CID 585878

IUPAC4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H16ClNO4S/c1-3-21-14-7-5-4-6-13(14)17-22(18,19)11-8-9-12(16)15(10-11)20-2/h4-10,17H,3H2,1-2H3
InChIKeyBXINRAIGATXEMP-UHFFFAOYSA-N
MW341.82 g/mol
LogP3.55
Rot. Bonds6

About 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide

4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide (PubChem CID 585878) has the molecular formula C15H16ClNO4S and a molecular weight of 341.82 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide
PubChem CID585878
Molecular FormulaC15H16ClNO4S
Molecular Weight341.82 g/mol
Exact Mass341.05
IUPAC Name4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide
SMILESCCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C15H16ClNO4S/c1-3-21-14-7-5-4-6-13(14)17-22(18,19)11-8-9-12(16)15(10-11)20-2/h4-10,17H,3H2,1-2H3
InChIKeyBXINRAIGATXEMP-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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Related Compounds

4-Chloro-2'-methoxybenzenesulfonanilide
CID 310128
5-chloro-2-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 839358
4-chloro-N-(4-ethoxyphenyl)benzenesulfonamide
CID 306215
N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 770818
N-(4-chloro-2,5-dimethoxyphenyl)-4-ethoxybenzenesulfonamide
CID 991743
4-chloro-N-(2-ethoxyphenyl)benzene-1-sulfonamide
CID 710432
4-chloro-3-ethoxy-N-(2-ethylphenyl)benzenesulfonamide
CID 935496
N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethoxybenzenesulfonamide
CID 991754
N-(5-chloro-2-methoxyphenyl)-3,4-dimethoxybenzenesulfonamide
CID 1141973
4-chloro-3-methoxy-N-(2-methylphenyl)benzenesulfonamide
CID 1259343
N-(5-chloro-2-hydroxyphenyl)-4-ethoxybenzenesulfonamide
CID 2980565
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxybenzenesulfonamide
CID 3113409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide (CID 585878) is 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide is CCOc1ccccc1NS(=O)(=O)c1ccc(Cl)c(OC)c1.
What is the InChIKey of 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide?
The InChIKey is BXINRAIGATXEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO4S/c1-3-21-14-7-5-4-6-13(14)17-22(18,19)11-8-9-12(16)15(10-11)20-2/h4-10,17H,3H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide?
4-chloro-N-(2-ethoxyphenyl)-3-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 4-chloro-N-(2-ethoxyphenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 585878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).