N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C23H28ClN3O5S — CID 4852573

IUPACN-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC(C)O1
InChIInChI=1S/C23H28ClN3O5S/c1-16-14-27(15-17(2)32-16)33(29,30)20-5-3-4-18(12-20)23(28)25-21-13-19(24)6-7-22(21)26-8-10-31-11-9-26/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,25,28)
InChIKeyBXVFDVUEXMNJLA-UHFFFAOYSA-N
MW494.01 g/mol
LogP3.23
Rot. Bonds5

About N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 4852573) has the molecular formula C23H28ClN3O5S and a molecular weight of 494.01 g/mol. Its IUPAC name is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID4852573
Molecular FormulaC23H28ClN3O5S
Molecular Weight494.01 g/mol
Exact Mass493.14
IUPAC NameN-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC(C)O1
InChIInChI=1S/C23H28ClN3O5S/c1-16-14-27(15-17(2)32-16)33(29,30)20-5-3-4-18(12-20)23(28)25-21-13-19(24)6-7-22(21)26-8-10-31-11-9-26/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,25,28)
InChIKeyBXVFDVUEXMNJLA-UHFFFAOYSA-N
XLogP3.23
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.01
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

n-(3-Acetylphenyl)-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1101763
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 3158002
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-hydroxy-4-methyl-1,4-diazepan-1-yl)sulfonyl]benzamide
CID 118229969
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-fluoro-1,4-oxazepan-4-yl)sulfonyl]benzamide
CID 118230086
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(6-methoxy-1,4-oxazepan-4-yl)sulfonyl]benzamide
CID 118230162
4-chloro-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 997370
N-(2-chlorophenyl)-4-(morpholinosulfonyl)benzamide
CID 1152895
N-[4-(benzoylamino)phenyl]-4-chloro-3-(4-morpholinylsulfonyl)benzamide
CID 1355582
3-(Morpholin-4-ylsulfonyl)phenyl 4-phenylpiperazinyl ketone
CID 1528143
N-(4-chlorophenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1548697
2-chloro-5-(dimethylsulfamoyl)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
CID 2085100
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 2105999

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 4852573) is N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3N3CCOCC3)c2)CC(C)O1.
What is the InChIKey of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is BXVFDVUEXMNJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O5S/c1-16-14-27(15-17(2)32-16)33(29,30)20-5-3-4-18(12-20)23(28)25-21-13-19(24)6-7-22(21)26-8-10-31-11-9-26/h3-7,12-13,16-17H,8-11,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 494.01 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-morpholin-4-ylphenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 4852573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).