N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

C19H20ClFN2O4S — CID 2078421

IUPACN-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@@H](C)O1
InChIInChI=1S/C19H20ClFN2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)16-5-3-4-14(8-16)19(24)22-18-7-6-15(20)9-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)/t12-,13-/m1/s1
InChIKeyNJJCRJPTFSTEGG-CHWSQXEVSA-N
MW426.90 g/mol
LogP3.53
Rot. Bonds4

About N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (PubChem CID 2078421) has the molecular formula C19H20ClFN2O4S and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
PubChem CID2078421
Molecular FormulaC19H20ClFN2O4S
Molecular Weight426.90 g/mol
Exact Mass426.08
IUPAC NameN-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@@H](C)O1
InChIInChI=1S/C19H20ClFN2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)16-5-3-4-14(8-16)19(24)22-18-7-6-15(20)9-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)/t12-,13-/m1/s1
InChIKeyNJJCRJPTFSTEGG-CHWSQXEVSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40844699
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
N-(2,4-difluorophenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2326591
N-(2,4-difluorophenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4558929
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(4-fluoro-3-nitrophenyl)benzamide
CID 46520259
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984470
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (CID 2078421) is N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)C[C@@H](C)O1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The InChIKey is NJJCRJPTFSTEGG-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H20ClFN2O4S/c1-12-10-23(11-13(2)27-12)28(25,26)16-5-3-4-14(8-16)19(24)22-18-7-6-15(20)9-17(18)21/h3-9,12-13H,10-11H2,1-2H3,(H,22,24)/t12-,13-/m1/s1.
What are the key properties of N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide has a molecular weight of 426.90 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is sourced from PubChem (CID 2078421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).