N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide

C17H17ClN2O4S — CID 110372349

IUPACN-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
SMILESO=C1OCCN1c1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-2-13(12-14)8-9-19-25(22,23)16-6-4-15(5-7-16)20-10-11-24-17(20)21/h1-7,12,19H,8-11H2
InChIKeyGWXBDKRFYIBVSC-UHFFFAOYSA-N
MW380.85 g/mol
LogP2.82
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide

N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide (PubChem CID 110372349) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
PubChem CID110372349
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
SMILESO=C1OCCN1c1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O4S/c18-14-3-1-2-13(12-14)8-9-19-25(22,23)16-6-4-15(5-7-16)20-10-11-24-17(20)21/h1-7,12,19H,8-11H2
InChIKeyGWXBDKRFYIBVSC-UHFFFAOYSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 897615
N-[2-(2-methoxyphenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372328
N-[(4-fluorophenyl)methyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide
CID 110372318
4-N-cyclopropyl-1-N-[[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]benzene-1,4-disulfonamide
CID 55815916
3-amino-4-bromo-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 115328936
2,4,5-trichloro-N-[2-(3-chlorophenyl)ethyl]benzenesulfonamide
CID 19680921
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
4-bromo-N-[2-(3-chlorophenyl)ethyl]-3-fluorobenzenesulfonamide
CID 107650102
N-[2-(3-chlorophenyl)ethyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 35309914
1-(3-chlorophenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]methanesulfonamide
CID 16890660
3-[2-[(3-chlorophenyl)sulfonylamino]ethyl]benzoic acid
CID 174539221
4-[2-(3-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61073730

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide (CID 110372349) is N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide is O=C1OCCN1c1ccc(S(=O)(=O)NCCc2cccc(Cl)c2)cc1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
The InChIKey is GWXBDKRFYIBVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c18-14-3-1-2-13(12-14)8-9-19-25(22,23)16-6-4-15(5-7-16)20-10-11-24-17(20)21/h1-7,12,19H,8-11H2.
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide?
N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide has a molecular weight of 380.85 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzenesulfonamide is sourced from PubChem (CID 110372349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).