4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide

C18H20FN3O4S — CID 129071168

IUPAC4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-21(2)27(24,25)15-6-3-12(4-7-15)16-8-5-13(9-17(16)19)22-11-14(10-20)26-18(22)23/h3-9,14H,10-11,20H2,1-2H3/t14-/m0/s1
InChIKeyNHWDUUAFLBJYEO-AWEZNQCLSA-N
MW393.44 g/mol
LogP2.03
Rot. Bonds5

About 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide

4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 129071168) has the molecular formula C18H20FN3O4S and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
PubChem CID129071168
Molecular FormulaC18H20FN3O4S
Molecular Weight393.44 g/mol
Exact Mass393.12
IUPAC Name4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cc1
InChIInChI=1S/C18H20FN3O4S/c1-21(2)27(24,25)15-6-3-12(4-7-15)16-8-5-13(9-17(16)19)22-11-14(10-20)26-18(22)23/h3-9,14H,10-11,20H2,1-2H3/t14-/m0/s1
InChIKeyNHWDUUAFLBJYEO-AWEZNQCLSA-N
XLogP2.03
TPSA92.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
(S)-N-[[3-[4-(3,6-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 18684838
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
N-(3-Fluoro-phenyl)-N-{[(tetrahydro-furan-2-ylmethyl)-carbamoyl]-methyl}-2-(toluene-4-sulfonylamino)-acetamide
CID 3206940
2-[4-(4-methylphenyl)sulfonyl-7-oxo-1,4-diazepan-1-yl]ethyl N-(4-fluorophenyl)carbamate
CID 6096725
N-(((5S)-3-(3-Fluoro-4-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide
CID 478257
N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 478455
N-[[(5S)-3-[4-(3,4-dihydro-1,1-dioxido-2H-thiopyran-4-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 10193784
N-[[(5S)-3-[4-[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10203374
N-[[(5S)-3-[4-(3,4-dihydro-1,1-dioxido-2H-thiopyran-4-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl]-2,2-difluoroacetamide
CID 10216150
N-[[(5S)-3-[4-(3,4-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]-2,2-difluoroacetamide
CID 10216447
N-[[(5S)-3-[4-(1,1-dioxo-3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10287260

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide (CID 129071168) is 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cc1.
What is the InChIKey of 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is NHWDUUAFLBJYEO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20FN3O4S/c1-21(2)27(24,25)15-6-3-12(4-7-15)16-8-5-13(9-17(16)19)22-11-14(10-20)26-18(22)23/h3-9,14H,10-11,20H2,1-2H3/t14-/m0/s1.
What are the key properties of 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide?
4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 393.44 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 129071168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).