3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

C15H16Cl2N2O4S — CID 42851281

IUPAC3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCc2ccco2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O4S/c1-19-15(12-5-4-10(16)7-13(12)17)14(9-23-19)24(20,21)18-8-11-3-2-6-22-11/h2-7,14-15,18H,8-9H2,1H3
InChIKeyWNBGYBSJVUKNLD-UHFFFAOYSA-N
MW391.28 g/mol
LogP2.99
Rot. Bonds5

About 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide

3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (PubChem CID 42851281) has the molecular formula C15H16Cl2N2O4S and a molecular weight of 391.28 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
PubChem CID42851281
Molecular FormulaC15H16Cl2N2O4S
Molecular Weight391.28 g/mol
Exact Mass390.02
IUPAC Name3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide
SMILESCN1OCC(S(=O)(=O)NCc2ccco2)C1c1ccc(Cl)cc1Cl
InChIInChI=1S/C15H16Cl2N2O4S/c1-19-15(12-5-4-10(16)7-13(12)17)14(9-23-19)24(20,21)18-8-11-3-2-6-22-11/h2-7,14-15,18H,8-9H2,1H3
InChIKeyWNBGYBSJVUKNLD-UHFFFAOYSA-N
XLogP2.99
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-N-(furan-2-ylmethyl)-2-methyl-3-(4-propan-2-ylphenyl)-1,2-oxazolidine-4-sulfonamide
CID 93329122
3-(3-chloro-4-fluorophenyl)-N-(furan-2-ylmethyl)-N,2-dimethyl-1,2-oxazolidine-4-sulfonamide
CID 46071360
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
2-amino-4-chloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 28555278
5-chloro-N-(furan-2-ylmethyl)-2-methoxybenzenesulfonamide
CID 686051
2-[6-(2,4-dichlorophenyl)-9,9-dimethyl-7-oxo-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-5-yl]-N-(furan-2-ylmethyl)acetamide
CID 19055949
(4S)-4-(2,4-dichlorophenyl)-6-(furan-2-ylmethyl)-1-methyl-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7495001
3-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 39616701
N-(furan-2-ylmethyl)-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide
CID 78383708
N-[(2-fluorophenyl)methyl]-2-methyl-3-(3-methylthiophen-2-yl)-1,2-oxazolidine-4-sulfonamide
CID 42869523
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 2973377
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide (CID 42851281) is 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is CN1OCC(S(=O)(=O)NCc2ccco2)C1c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
The InChIKey is WNBGYBSJVUKNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4S/c1-19-15(12-5-4-10(16)7-13(12)17)14(9-23-19)24(20,21)18-8-11-3-2-6-22-11/h2-7,14-15,18H,8-9H2,1H3.
What are the key properties of 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide?
3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide has a molecular weight of 391.28 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-(furan-2-ylmethyl)-2-methyl-1,2-oxazolidine-4-sulfonamide is sourced from PubChem (CID 42851281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).