N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C19H21ClN2O5S — CID 2682721

IUPACN-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClN2O5S/c1-26-17-6-5-15(19(23)21-13-14-3-2-4-16(20)11-14)12-18(17)28(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)
InChIKeyHURMAKAQJPWLCK-UHFFFAOYSA-N
MW424.91 g/mol
LogP2.30
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 2682721) has the molecular formula C19H21ClN2O5S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID2682721
Molecular FormulaC19H21ClN2O5S
Molecular Weight424.91 g/mol
Exact Mass424.09
IUPAC NameN-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H21ClN2O5S/c1-26-17-6-5-15(19(23)21-13-14-3-2-4-16(20)11-14)12-18(17)28(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23)
InChIKeyHURMAKAQJPWLCK-UHFFFAOYSA-N
XLogP2.30
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-Chloro-2-methoxyphenyl)sulfonyl]-4-(4-methoxybenzoyl)piperazine
CID 3243820
N-cyclohexyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 1107083
1-(3-Chlorobenzoyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine
CID 1147959
3-[benzyl(ethyl)sulfamoyl]-N-cycloheptyl-4-methoxybenzamide
CID 2090715
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2093014
N-[2-(4-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 2329116
N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethyl-5-morpholin-4-ylsulfonylbenzamide
CID 2472340
3-[benzyl(ethyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-4-methoxybenzamide
CID 2480845
[4-methoxy-3-(4-morpholinylsulfonyl)phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 2494767
N-(4-chlorobenzyl)-4-methoxy-3-(pyrrolidin-1-ylsulfonyl)benzamide
CID 2704820
Ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate
CID 3458759
(4-Methoxy-3-morpholin-4-ylsulfonylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 3947664

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 2682721) is N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HURMAKAQJPWLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O5S/c1-26-17-6-5-15(19(23)21-13-14-3-2-4-16(20)11-14)12-18(17)28(24,25)22-7-9-27-10-8-22/h2-6,11-12H,7-10,13H2,1H3,(H,21,23).
What are the key properties of N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 424.91 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 2682721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).