2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C27H30Cl2N2O5S — CID 42657272

IUPAC2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(CN(CCN2CCOCC2)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C27H30Cl2N2O5S/c1-34-26-17-22(7-10-25(26)36-20-21-5-3-2-4-6-21)19-31(12-11-30-13-15-35-16-14-30)37(32,33)27-18-23(28)8-9-24(27)29/h2-10,17-18H,11-16,19-20H2,1H3
InChIKeyXHLJUEBRKWSPIL-UHFFFAOYSA-N
MW565.52 g/mol
LogP5.10
Rot. Bonds11

About 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 42657272) has the molecular formula C27H30Cl2N2O5S and a molecular weight of 565.52 g/mol. Its IUPAC name is 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID42657272
Molecular FormulaC27H30Cl2N2O5S
Molecular Weight565.52 g/mol
Exact Mass564.13
IUPAC Name2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1cc(CN(CCN2CCOCC2)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C27H30Cl2N2O5S/c1-34-26-17-22(7-10-25(26)36-20-21-5-3-2-4-6-21)19-31(12-11-30-13-15-35-16-14-30)37(32,33)27-18-23(28)8-9-24(27)29/h2-10,17-18H,11-16,19-20H2,1H3
InChIKeyXHLJUEBRKWSPIL-UHFFFAOYSA-N
XLogP5.10
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.52
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2,4-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 42704417
4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 42698256
5-chloro-2-methoxy-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 45191121
4-acetyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 3619541
3-(2,6-dimethylphenyl)-1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1-(3-morpholin-4-ylpropyl)urea
CID 42708434
N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42836806
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 42701785
2,5-dichloro-N-[(1-methylpyrrol-2-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 42705137
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)pentanamide
CID 42701779
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
N-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)hexanamide
CID 42701783
4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 42657272) is 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1cc(CN(CCN2CCOCC2)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is XHLJUEBRKWSPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N2O5S/c1-34-26-17-22(7-10-25(26)36-20-21-5-3-2-4-6-21)19-31(12-11-30-13-15-35-16-14-30)37(32,33)27-18-23(28)8-9-24(27)29/h2-10,17-18H,11-16,19-20H2,1H3.
What are the key properties of 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 565.52 g/mol, XLogP of 5.10, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 42657272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).