4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide

C19H19Cl3N2O4S — CID 42559699

IUPAC4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C19H19Cl3N2O4S/c1-11-9-24(10-12(2)28-11)29(26,27)15-5-3-13(4-6-15)19(25)23-17-8-14(20)7-16(21)18(17)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)/t11-,12-/m0/s1
InChIKeyROLSESLHWKJOBC-RYUDHWBXSA-N
MW477.80 g/mol
LogP4.70
Rot. Bonds4

About 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide

4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide (PubChem CID 42559699) has the molecular formula C19H19Cl3N2O4S and a molecular weight of 477.80 g/mol. Its IUPAC name is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide.

Molecular Properties

Compound Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide
PubChem CID42559699
Molecular FormulaC19H19Cl3N2O4S
Molecular Weight477.80 g/mol
Exact Mass476.01
IUPAC Name4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide
SMILESC[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3Cl)cc2)C[C@H](C)O1
InChIInChI=1S/C19H19Cl3N2O4S/c1-11-9-24(10-12(2)28-11)29(26,27)15-5-3-13(4-6-15)19(25)23-17-8-14(20)7-16(21)18(17)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)/t11-,12-/m0/s1
InChIKeyROLSESLHWKJOBC-RYUDHWBXSA-N
XLogP4.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.80
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2,3,5-trichlorophenyl)benzamide
CID 18558813
N-(2-chloro-4-methylphenyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926672
N-(2-chloro-4-methylphenyl)-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 7926671
N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 18074383
N-(2-chloro-3-pyridinyl)-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 2382084
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
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-4-methylphenyl]benzamide
CID 99678549
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-phenylbenzamide
CID 40606298
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-phenylbenzamide
CID 6463291
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 5175673
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(4-hydroxyphenyl)benzamide
CID 94696380

Frequently Asked Questions

What is the IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide?
The IUPAC name of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide (CID 42559699) is 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide.
What is the SMILES notation for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide?
The canonical SMILES for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide is C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3Cl)cc2)C[C@H](C)O1.
What is the InChIKey of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide?
The InChIKey is ROLSESLHWKJOBC-RYUDHWBXSA-N. The full InChI is InChI=1S/C19H19Cl3N2O4S/c1-11-9-24(10-12(2)28-11)29(26,27)15-5-3-13(4-6-15)19(25)23-17-8-14(20)7-16(21)18(17)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)/t11-,12-/m0/s1.
What are the key properties of 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide?
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide has a molecular weight of 477.80 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2,3,5-trichlorophenyl)benzamide is sourced from PubChem (CID 42559699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).