(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide

C15H19Cl2NO3S — CID 97166599

IUPAC(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NC1CC1)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO3S/c16-12-2-1-10(14(17)8-12)7-11-9-21-6-5-15(11)22(19,20)18-13-3-4-13/h1-2,8,11,13,15,18H,3-7,9H2/t11-,15-/m1/s1
InChIKeyOPMLBYKFOOFYGT-IAQYHMDHSA-N
MW364.29 g/mol
LogP3.02
Rot. Bonds5

About (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide

(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide (PubChem CID 97166599) has the molecular formula C15H19Cl2NO3S and a molecular weight of 364.29 g/mol. Its IUPAC name is (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide.

Molecular Properties

Compound Name(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
PubChem CID97166599
Molecular FormulaC15H19Cl2NO3S
Molecular Weight364.29 g/mol
Exact Mass363.05
IUPAC Name(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide
SMILESO=S(=O)(NC1CC1)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO3S/c16-12-2-1-10(14(17)8-12)7-11-9-21-6-5-15(11)22(19,20)18-13-3-4-13/h1-2,8,11,13,15,18H,3-7,9H2/t11-,15-/m1/s1
InChIKeyOPMLBYKFOOFYGT-IAQYHMDHSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide?
The IUPAC name of (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide (CID 97166599) is (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide.
What is the SMILES notation for (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide?
The canonical SMILES for (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide is O=S(=O)(NC1CC1)[C@@H]1CCOC[C@H]1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide?
The InChIKey is OPMLBYKFOOFYGT-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H19Cl2NO3S/c16-12-2-1-10(14(17)8-12)7-11-9-21-6-5-15(11)22(19,20)18-13-3-4-13/h1-2,8,11,13,15,18H,3-7,9H2/t11-,15-/m1/s1.
What are the key properties of (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide?
(3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide has a molecular weight of 364.29 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-cyclopropyl-3-[(2,4-dichlorophenyl)methyl]oxane-4-sulfonamide is sourced from PubChem (CID 97166599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).