3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide

C15H21ClN2O4S — CID 1236437

IUPAC3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C15H21ClN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-5-13(16)7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyXWQVDFNFNSKQER-TUAOUCFPSA-N
MW360.86 g/mol
LogP1.64
Rot. Bonds4

About 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide

3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide (PubChem CID 1236437) has the molecular formula C15H21ClN2O4S and a molecular weight of 360.86 g/mol. Its IUPAC name is 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
PubChem CID1236437
Molecular FormulaC15H21ClN2O4S
Molecular Weight360.86 g/mol
Exact Mass360.09
IUPAC Name3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide
SMILESC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1
InChIInChI=1S/C15H21ClN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-5-13(16)7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m0/s1
InChIKeyXWQVDFNFNSKQER-TUAOUCFPSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide (CID 1236437) is 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide is C[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(Cl)c2)C[C@H](C)O1.
What is the InChIKey of 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
The InChIKey is XWQVDFNFNSKQER-TUAOUCFPSA-N. The full InChI is InChI=1S/C15H21ClN2O4S/c1-10-8-18(9-11(2)22-10)15(19)12(3)17-23(20,21)14-6-4-5-13(16)7-14/h4-7,10-12,17H,8-9H2,1-3H3/t10-,11+,12-/m0/s1.
What are the key properties of 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide?
3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide has a molecular weight of 360.86 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 1236437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).