N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

C19H20Cl2N2O4S — CID 17432441

IUPACN-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)CC(C)O1
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)18-5-3-4-14(6-18)19(24)22-17-8-15(20)7-16(21)9-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)
InChIKeyCJEGSUMCBJYORQ-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.04
Rot. Bonds4

About N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide

N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (PubChem CID 17432441) has the molecular formula C19H20Cl2N2O4S and a molecular weight of 443.35 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
PubChem CID17432441
Molecular FormulaC19H20Cl2N2O4S
Molecular Weight443.35 g/mol
Exact Mass442.05
IUPAC NameN-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
SMILESCC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)CC(C)O1
InChIInChI=1S/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)18-5-3-4-14(6-18)19(24)22-17-8-15(20)7-16(21)9-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)
InChIKeyCJEGSUMCBJYORQ-UHFFFAOYSA-N
XLogP4.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
N-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 42905906
N-(3-cyanophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 55329273
N-(4-bromo-3-methylphenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 41152859
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960229
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 51960227
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The IUPAC name of N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide (CID 17432441) is N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)CC(C)O1.
What is the InChIKey of N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
The InChIKey is CJEGSUMCBJYORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)18-5-3-4-14(6-18)19(24)22-17-8-15(20)7-16(21)9-17/h3-9,12-13H,10-11H2,1-2H3,(H,22,24).
What are the key properties of N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide?
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide has a molecular weight of 443.35 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide is sourced from PubChem (CID 17432441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).