3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide

C14H19Cl2NO3S — CID 71646877

IUPAC3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCOCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-17(2)21(18,19)14-5-6-20-9-11(14)7-10-3-4-12(15)8-13(10)16/h3-4,8,11,14H,5-7,9H2,1-2H3
InChIKeyYCHAPHGYUHRWAE-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.83
Rot. Bonds4

About 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide

3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide (PubChem CID 71646877) has the molecular formula C14H19Cl2NO3S and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
PubChem CID71646877
Molecular FormulaC14H19Cl2NO3S
Molecular Weight352.28 g/mol
Exact Mass351.05
IUPAC Name3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide
SMILESCN(C)S(=O)(=O)C1CCOCC1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H19Cl2NO3S/c1-17(2)21(18,19)14-5-6-20-9-11(14)7-10-3-4-12(15)8-13(10)16/h3-4,8,11,14H,5-7,9H2,1-2H3
InChIKeyYCHAPHGYUHRWAE-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The IUPAC name of 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide (CID 71646877) is 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide is CN(C)S(=O)(=O)C1CCOCC1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
The InChIKey is YCHAPHGYUHRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO3S/c1-17(2)21(18,19)14-5-6-20-9-11(14)7-10-3-4-12(15)8-13(10)16/h3-4,8,11,14H,5-7,9H2,1-2H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide?
3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide has a molecular weight of 352.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methyl]-N,N-dimethyloxane-4-sulfonamide is sourced from PubChem (CID 71646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).