(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide

C15H22Cl2N2O4S — CID 124628988

IUPAC(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H22Cl2N2O4S/c1-11-9-19(10-12(2)23-11)24(20,21)18-6-3-7-22-15-5-4-13(16)8-14(15)17/h4-5,8,11-12,18H,3,6-7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyVSRQTQASZMJZBW-RYUDHWBXSA-N
MW397.32 g/mol
LogP2.71
Rot. Bonds7

About (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide

(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 124628988) has the molecular formula C15H22Cl2N2O4S and a molecular weight of 397.32 g/mol. Its IUPAC name is (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID124628988
Molecular FormulaC15H22Cl2N2O4S
Molecular Weight397.32 g/mol
Exact Mass396.07
IUPAC Name(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide
SMILESC[C@H]1CN(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1
InChIInChI=1S/C15H22Cl2N2O4S/c1-11-9-19(10-12(2)23-11)24(20,21)18-6-3-7-22-15-5-4-13(16)8-14(15)17/h4-5,8,11-12,18H,3,6-7,9-10H2,1-2H3/t11-,12-/m0/s1
InChIKeyVSRQTQASZMJZBW-RYUDHWBXSA-N
XLogP2.71
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide (CID 124628988) is (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide is C[C@H]1CN(S(=O)(=O)NCCCOc2ccc(Cl)cc2Cl)C[C@H](C)O1.
What is the InChIKey of (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is VSRQTQASZMJZBW-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H22Cl2N2O4S/c1-11-9-19(10-12(2)23-11)24(20,21)18-6-3-7-22-15-5-4-13(16)8-14(15)17/h4-5,8,11-12,18H,3,6-7,9-10H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide?
(2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 397.32 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-N-[3-(2,4-dichlorophenoxy)propyl]-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 124628988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).