2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine

C19H24ClNO4S — CID 32663166

IUPAC2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24ClNO4S/c1-4-21(14-15-5-10-18(24-2)19(13-15)25-3)11-12-26(22,23)17-8-6-16(20)7-9-17/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyGHKRWANOJUFVNT-UHFFFAOYSA-N
MW397.92 g/mol
LogP3.65
Rot. Bonds9

About 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine

2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine (PubChem CID 32663166) has the molecular formula C19H24ClNO4S and a molecular weight of 397.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine
PubChem CID32663166
Molecular FormulaC19H24ClNO4S
Molecular Weight397.92 g/mol
Exact Mass397.11
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine
SMILESCCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H24ClNO4S/c1-4-21(14-15-5-10-18(24-2)19(13-15)25-3)11-12-26(22,23)17-8-6-16(20)7-9-17/h5-10,13H,4,11-12,14H2,1-3H3
InChIKeyGHKRWANOJUFVNT-UHFFFAOYSA-N
XLogP3.65
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.92
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine (CID 32663166) is 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine is CCN(CCS(=O)(=O)c1ccc(Cl)cc1)Cc1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine?
The InChIKey is GHKRWANOJUFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO4S/c1-4-21(14-15-5-10-18(24-2)19(13-15)25-3)11-12-26(22,23)17-8-6-16(20)7-9-17/h5-10,13H,4,11-12,14H2,1-3H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine?
2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine has a molecular weight of 397.92 g/mol, XLogP of 3.65, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylethanamine is sourced from PubChem (CID 32663166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).