3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide

C20H23ClN2O5S — CID 2967338

IUPAC3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O5S/c1-15(16-5-3-2-4-6-16)22-29(25,26)17-7-8-19(18(21)13-17)28-14-20(24)23-9-11-27-12-10-23/h2-8,13,15,22H,9-12,14H2,1H3
InChIKeyBSQDQECFHQNRHZ-UHFFFAOYSA-N
MW438.93 g/mol
LogP2.62
Rot. Bonds7

About 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide

3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide (PubChem CID 2967338) has the molecular formula C20H23ClN2O5S and a molecular weight of 438.93 g/mol. Its IUPAC name is 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide
PubChem CID2967338
Molecular FormulaC20H23ClN2O5S
Molecular Weight438.93 g/mol
Exact Mass438.10
IUPAC Name3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O5S/c1-15(16-5-3-2-4-6-16)22-29(25,26)17-7-8-19(18(21)13-17)28-14-20(24)23-9-11-27-12-10-23/h2-8,13,15,22H,9-12,14H2,1H3
InChIKeyBSQDQECFHQNRHZ-UHFFFAOYSA-N
XLogP2.62
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide (CID 2967338) is 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide?
The InChIKey is BSQDQECFHQNRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O5S/c1-15(16-5-3-2-4-6-16)22-29(25,26)17-7-8-19(18(21)13-17)28-14-20(24)23-9-11-27-12-10-23/h2-8,13,15,22H,9-12,14H2,1H3.
What are the key properties of 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide?
3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide has a molecular weight of 438.93 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(1-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2967338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).