2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide

C15H21ClN2O4S — CID 51941813

IUPAC2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
SMILESC[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H21ClN2O4S/c1-11-9-18(10-12(2)22-11)23(20,21)8-7-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyKUHGNMQAEYRAFR-RYUDHWBXSA-N
MW360.86 g/mol
LogP1.51
Rot. Bonds5

About 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide

2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide (PubChem CID 51941813) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
PubChem CID51941813
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide
SMILESC[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H21ClN2O4S/c1-11-9-18(10-12(2)22-11)23(20,21)8-7-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1
InChIKeyKUHGNMQAEYRAFR-RYUDHWBXSA-N
XLogP1.51
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 42959764
2-(2-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]cyclopropane-1-carboxamide
CID 55657995
3-[(2-chlorophenyl)sulfonylamino]-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]propanamide
CID 55658112
2-chloro-N-[3-(2,6-dimethylmorpholin-4-yl)-3-oxopropyl]benzamide
CID 18135466
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methylbenzamide
CID 42959769
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-5-methylthiophene-2-carboxamide
CID 51728926
2-(difluoromethoxy)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-methoxybenzamide
CID 55674589
5-(4-chlorophenyl)-N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]thiophene-2-carboxamide
CID 55658000
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 47030090
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-3-(2-fluorophenyl)propanamide
CID 46433864
N-[2-(2,6-dimethylmorpholin-4-yl)sulfonylethyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55658002
2-benzyl-N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-1,3-thiazole-4-carboxamide
CID 51941759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide (CID 51941813) is 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide is C[C@H]1CN(S(=O)(=O)CCNC(=O)c2ccccc2Cl)C[C@H](C)O1.
What is the InChIKey of 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide?
The InChIKey is KUHGNMQAEYRAFR-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-11-9-18(10-12(2)22-11)23(20,21)8-7-17-15(19)13-5-3-4-6-14(13)16/h3-6,11-12H,7-10H2,1-2H3,(H,17,19)/t11-,12-/m0/s1.
What are the key properties of 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide?
2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide has a molecular weight of 360.86 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]benzamide is sourced from PubChem (CID 51941813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).