N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

C19H21ClN2O4S — CID 40844699

IUPACN-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@H](C)O1
InChIInChI=1S/C19H21ClN2O4S/c1-13-11-22(12-14(2)26-13)27(24,25)16-7-5-6-15(10-16)19(23)21-18-9-4-3-8-17(18)20/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyATNDMNBSNRJTBR-KBPBESRZSA-N
MW408.91 g/mol
LogP3.39
Rot. Bonds4

About N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide

N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (PubChem CID 40844699) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
PubChem CID40844699
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC NameN-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
SMILESC[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@H](C)O1
InChIInChI=1S/C19H21ClN2O4S/c1-13-11-22(12-14(2)26-13)27(24,25)16-7-5-6-15(10-16)19(23)21-18-9-4-3-8-17(18)20/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyATNDMNBSNRJTBR-KBPBESRZSA-N
XLogP3.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
N-(3,5-dichlorophenyl)-3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 17432441
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
N-(4-chloro-2-fluorophenyl)-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2078421
N-(4-chlorophenyl)-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26087542
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[2-(dimethylsulfamoyl)phenyl]benzamide
CID 55984470
N-(3-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40896256
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 18074383
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40855456
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-pyridin-2-ylbenzamide
CID 35034712
N-(4-acetylphenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 40790972
N-cyclopropyl-3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 26693977

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide (CID 40844699) is N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3Cl)c2)C[C@H](C)O1.
What is the InChIKey of N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
The InChIKey is ATNDMNBSNRJTBR-KBPBESRZSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-13-11-22(12-14(2)26-13)27(24,25)16-7-5-6-15(10-16)19(23)21-18-9-4-3-8-17(18)20/h3-10,13-14H,11-12H2,1-2H3,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide?
N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide has a molecular weight of 408.91 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide is sourced from PubChem (CID 40844699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).