N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide

C13H18ClNO5S2 — CID 131950385

IUPACN-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(CCOc1cccc(Cl)c1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18ClNO5S2/c1-15(6-7-20-12-4-2-3-11(14)9-12)22(18,19)13-5-8-21(16,17)10-13/h2-4,9,13H,5-8,10H2,1H3
InChIKeyRFDSUWZTIXGRAQ-UHFFFAOYSA-N
MW367.88 g/mol
LogP1.17
Rot. Bonds6

About N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide

N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide (PubChem CID 131950385) has the molecular formula C13H18ClNO5S2 and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
PubChem CID131950385
Molecular FormulaC13H18ClNO5S2
Molecular Weight367.88 g/mol
Exact Mass367.03
IUPAC NameN-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide
SMILESCN(CCOc1cccc(Cl)c1)S(=O)(=O)C1CCS(=O)(=O)C1
InChIInChI=1S/C13H18ClNO5S2/c1-15(6-7-20-12-4-2-3-11(14)9-12)22(18,19)13-5-8-21(16,17)10-13/h2-4,9,13H,5-8,10H2,1H3
InChIKeyRFDSUWZTIXGRAQ-UHFFFAOYSA-N
XLogP1.17
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide (CID 131950385) is N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide is CN(CCOc1cccc(Cl)c1)S(=O)(=O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is RFDSUWZTIXGRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO5S2/c1-15(6-7-20-12-4-2-3-11(14)9-12)22(18,19)13-5-8-21(16,17)10-13/h2-4,9,13H,5-8,10H2,1H3.
What are the key properties of N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide?
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 367.88 g/mol, XLogP of 1.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenoxy)ethyl]-N-methyl-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 131950385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).