3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide

C16H18ClFN2O4S — CID 46071360

IUPAC3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)N(C)Cc2ccco2)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H18ClFN2O4S/c1-19(9-12-4-3-7-23-12)25(21,22)15-10-24-20(2)16(15)11-5-6-14(18)13(17)8-11/h3-8,15-16H,9-10H2,1-2H3
InChIKeyKTGCOZZDEIWDSD-UHFFFAOYSA-N
MW388.85 g/mol
LogP2.82
Rot. Bonds5

About 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide

3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 46071360) has the molecular formula C16H18ClFN2O4S and a molecular weight of 388.85 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
PubChem CID46071360
Molecular FormulaC16H18ClFN2O4S
Molecular Weight388.85 g/mol
Exact Mass388.07
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)N(C)Cc2ccco2)C1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H18ClFN2O4S/c1-19(9-12-4-3-7-23-12)25(21,22)15-10-24-20(2)16(15)11-5-6-14(18)13(17)8-11/h3-8,15-16H,9-10H2,1-2H3
InChIKeyKTGCOZZDEIWDSD-UHFFFAOYSA-N
XLogP2.82
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide (CID 46071360) is 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)N(C)Cc2ccco2)C1c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is KTGCOZZDEIWDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN2O4S/c1-19(9-12-4-3-7-23-12)25(21,22)15-10-24-20(2)16(15)11-5-6-14(18)13(17)8-11/h3-8,15-16H,9-10H2,1-2H3.
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide?
3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 388.85 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 46071360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).