N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide

C18H19ClN2O4S — CID 110327987

IUPACN-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-2-13-3-9-17(10-4-13)26(23,24)20-11-16-12-21(18(22)25-16)15-7-5-14(19)6-8-15/h3-10,16,20H,2,11-12H2,1H3
InChIKeyJEKHKNIOFAOVOD-UHFFFAOYSA-N
MW394.88 g/mol
LogP3.21
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide

N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide (PubChem CID 110327987) has the molecular formula C18H19ClN2O4S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
PubChem CID110327987
Molecular FormulaC18H19ClN2O4S
Molecular Weight394.88 g/mol
Exact Mass394.08
IUPAC NameN-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1
InChIInChI=1S/C18H19ClN2O4S/c1-2-13-3-9-17(10-4-13)26(23,24)20-11-16-12-21(18(22)25-16)15-7-5-14(19)6-8-15/h3-10,16,20H,2,11-12H2,1H3
InChIKeyJEKHKNIOFAOVOD-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-fluorobenzenesulfonamide
CID 110328213
4-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 16922365
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
N-[[3-(4-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-sulfonamide
CID 110328218
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 16922517
1-(4-chlorophenyl)-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 110327626
6-chloro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyridine-3-sulfonamide
CID 110310960
N-[[4-(4-chlorophenyl)-5-oxomorpholin-2-yl]methyl]benzenesulfonamide
CID 110367451
4-methoxy-N-[[3-(3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 16922728
3-methyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzenesulfonamide
CID 110294186
3-chloro-4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
CID 71652733
N-[[3-(3,4-dichlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922559

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide (CID 110327987) is N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)NCC2CN(c3ccc(Cl)cc3)C(=O)O2)cc1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide?
The InChIKey is JEKHKNIOFAOVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4S/c1-2-13-3-9-17(10-4-13)26(23,24)20-11-16-12-21(18(22)25-16)15-7-5-14(19)6-8-15/h3-10,16,20H,2,11-12H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide?
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide has a molecular weight of 394.88 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide is sourced from PubChem (CID 110327987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).