2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide

C17H18ClNO4S — CID 75901404

IUPAC2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)cc1CO
InChIInChI=1S/C17H18ClNO4S/c1-2-23-17-8-7-16(11-14(17)12-20)19-24(21,22)10-9-13-3-5-15(18)6-4-13/h3-11,19-20H,2,12H2,1H3
InChIKeyUJMSHPUJIVTGDF-UHFFFAOYSA-N
MW367.85 g/mol
LogP3.64
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide

2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide (PubChem CID 75901404) has the molecular formula C17H18ClNO4S and a molecular weight of 367.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide
PubChem CID75901404
Molecular FormulaC17H18ClNO4S
Molecular Weight367.85 g/mol
Exact Mass367.06
IUPAC Name2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)cc1CO
InChIInChI=1S/C17H18ClNO4S/c1-2-23-17-8-7-16(11-14(17)12-20)19-24(21,22)10-9-13-3-5-15(18)6-4-13/h3-11,19-20H,2,12H2,1H3
InChIKeyUJMSHPUJIVTGDF-UHFFFAOYSA-N
XLogP3.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.85
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
CID 8518747
4-chloro-N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylbenzenesulfonamide
CID 60520999
(E)-2-(4-chlorophenyl)-N-(4-ethylphenyl)ethenesulfonamide
CID 26970345
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,6-difluorobenzenesulfonamide
CID 60520911
[2-ethoxy-5-(2-methylpropylsulfamoylamino)phenyl]methanol
CID 114815613
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
[5-[(3,5-dichlorophenyl)methylamino]-2-ethoxyphenyl]methanol
CID 60980596
2-(4-bromophenyl)-N-(4-chlorophenyl)ethenesulfonamide
CID 66810710
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-propan-2-yloxyethanesulfonamide
CID 79130523
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
[5-(2,2-dimethylpropylamino)-2-ethoxyphenyl]methanol
CID 61324347
4-[[4-ethoxy-3-(hydroxymethyl)phenyl]sulfamoyl]benzamide
CID 47059390

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide (CID 75901404) is 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide is CCOc1ccc(NS(=O)(=O)C=Cc2ccc(Cl)cc2)cc1CO.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide?
The InChIKey is UJMSHPUJIVTGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4S/c1-2-23-17-8-7-16(11-14(17)12-20)19-24(21,22)10-9-13-3-5-15(18)6-4-13/h3-11,19-20H,2,12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide?
2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide has a molecular weight of 367.85 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethenesulfonamide is sourced from PubChem (CID 75901404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).