N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide

C21H25ClN2O5S — CID 2472340

IUPACN-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O5S/c1-16-3-8-19(30(26,27)24-10-12-28-13-11-24)15-20(16)21(25)23(2)9-14-29-18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3
InChIKeyYEXJFYNPXLUKQZ-UHFFFAOYSA-N
MW452.96 g/mol
LogP2.82
Rot. Bonds7

About N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide

N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide (PubChem CID 2472340) has the molecular formula C21H25ClN2O5S and a molecular weight of 452.96 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
PubChem CID2472340
Molecular FormulaC21H25ClN2O5S
Molecular Weight452.96 g/mol
Exact Mass452.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C21H25ClN2O5S/c1-16-3-8-19(30(26,27)24-10-12-28-13-11-24)15-20(16)21(25)23(2)9-14-29-18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3
InChIKeyYEXJFYNPXLUKQZ-UHFFFAOYSA-N
XLogP2.82
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.96
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-7-(dimethylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 59296033
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-7-(2-hydroxyethylsulfamoyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 59295946
N-[(2R)-3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]-1-oxo-7-sulfamoyl-2H-isoquinoline-4-carboxamide
CID 59295982
N-{(2R)-3-[4-(3,4-Dichlorophenoxy)piperidin-1-yl]-2-hydroxypropyl}-7-[(methylamino)sulfonyl]-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
CID 59296048
1-(3-Chlorobenzoyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147959
N,4-dimethyl-N-(2-phenoxyethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 8960790
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-N-methylacetamide
CID 24979509
N-[2-(4-chlorophenoxy)ethyl]-3-[4-(4-fluorophenyl)piperazino]sulfonyl-N-methyl-benzamide
CID 25161481
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 25161819
N-[(5-chloro-2-propoxyphenyl)methyl]-4-fluoro-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]benzamide
CID 168276827
N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 2682721
2-methyl-N-(2-phenoxyethyl)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 9104418

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide (CID 2472340) is N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
The InChIKey is YEXJFYNPXLUKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O5S/c1-16-3-8-19(30(26,27)24-10-12-28-13-11-24)15-20(16)21(25)23(2)9-14-29-18-6-4-17(22)5-7-18/h3-8,15H,9-14H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide?
N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide has a molecular weight of 452.96 g/mol, XLogP of 2.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2472340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).