4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide

C26H29ClN2O4S — CID 42698256

IUPAC4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29ClN2O4S/c27-24-8-12-26(13-9-24)34(30,31)29(15-14-28-16-18-32-19-17-28)20-22-6-10-25(11-7-22)33-21-23-4-2-1-3-5-23/h1-13H,14-21H2
InChIKeyGIBWWHOZFMALDE-UHFFFAOYSA-N
MW501.05 g/mol
LogP4.44
Rot. Bonds10

About 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide

4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide (PubChem CID 42698256) has the molecular formula C26H29ClN2O4S and a molecular weight of 501.05 g/mol. Its IUPAC name is 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
PubChem CID42698256
Molecular FormulaC26H29ClN2O4S
Molecular Weight501.05 g/mol
Exact Mass500.15
IUPAC Name4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C26H29ClN2O4S/c27-24-8-12-26(13-9-24)34(30,31)29(15-14-28-16-18-32-19-17-28)20-22-6-10-25(11-7-22)33-21-23-4-2-1-3-5-23/h1-13H,14-21H2
InChIKeyGIBWWHOZFMALDE-UHFFFAOYSA-N
XLogP4.44
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.05
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42700349
N-[[3-(4-chlorophenoxy)phenyl]methyl]-N-(2-morpholin-4-ylethyl)-4-nitrobenzenesulfonamide
CID 42700351
2,5-dichloro-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 42657272
2-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 42698238
N-benzyl-N-(3-morpholin-4-ylpropyl)-4-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826019
4-[(4-phenoxyphenyl)sulfonyl-[(4-phenylmethoxyphenyl)methyl]amino]butanoic acid
CID 51346028
N-benzyl-N-(2-piperidin-1-ylethyl)-4-propylbenzenesulfonamide
CID 51353133
1-(2-morpholin-4-ylethyl)-1-[(4-phenylmethoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 42698254
1-(3-morpholin-4-ylpropyl)-3-phenyl-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42701155
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
2-ethyl-N-(3-morpholin-4-ylpropyl)-N-[(4-phenylmethoxyphenyl)methyl]hexanamide
CID 42701112
4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-morpholin-4-ylethyl)-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 3571310

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide (CID 42698256) is 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide is O=S(=O)(c1ccc(Cl)cc1)N(CCN1CCOCC1)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
The InChIKey is GIBWWHOZFMALDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O4S/c27-24-8-12-26(13-9-24)34(30,31)29(15-14-28-16-18-32-19-17-28)20-22-6-10-25(11-7-22)33-21-23-4-2-1-3-5-23/h1-13H,14-21H2.
What are the key properties of 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide?
4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide has a molecular weight of 501.05 g/mol, XLogP of 4.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-morpholin-4-ylethyl)-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 42698256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).