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

C17H18FN3O4S — CID 129071170

IUPACN-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cc1
InChIInChI=1S/C17H18FN3O4S/c1-26(23,24)20-12-4-2-11(3-5-12)15-7-6-13(8-16(15)18)21-10-14(9-19)25-17(21)22/h2-8,14,20H,9-10,19H2,1H3/t14-/m0/s1
InChIKeyDGJKTARIZPNTSV-AWEZNQCLSA-N
MW379.41 g/mol
LogP2.15
Rot. Bonds5

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

N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide (PubChem CID 129071170) has the molecular formula C17H18FN3O4S and a molecular weight of 379.41 g/mol. Its IUPAC name is N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide
PubChem CID129071170
Molecular FormulaC17H18FN3O4S
Molecular Weight379.41 g/mol
Exact Mass379.10
IUPAC NameN-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cc1
InChIInChI=1S/C17H18FN3O4S/c1-26(23,24)20-12-4-2-11(3-5-12)15-7-6-13(8-16(15)18)21-10-14(9-19)25-17(21)22/h2-8,14,20H,9-10,19H2,1H3/t14-/m0/s1
InChIKeyDGJKTARIZPNTSV-AWEZNQCLSA-N
XLogP2.15
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(3-fluoropropylamino)methyl]phenyl]phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 11293965
N-[[(5S)-3-[4-[4-(aminomethyl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25023632
N-[[(5S)-3-[4-[4-[(diaminomethylideneamino)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 52943501
2-[[4-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methylamino]acetamide
CID 11361985
N-[[(5S)-3-[4-[(Z)-2-bromo-2-phenylethenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10203140
(5R)-3-[4-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10309027
(S)-N-[[3-[4-(3,6-dihydro-1,1-dioxido-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
CID 18684838
(S)-N-[3-(4-Fluoro-8,9-dihydro-7H-benzocyclohepten-2-yl)-2-oxo-oxazolidin-5-ylmethyl]-acetamide
CID 44418415
(2R)-4-{4'-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2'-fluorobiphenyl-4-yl}-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 86668778
2-Oxazolidinone, 5-(aminomethyl)-3-(4-(2-(3-fluorophenyl)ethyl)phenyl)-
CID 3069251
2,2-difluoro-N-[[(5S)-3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 485698
N-(((5S)-3-(3-Fluoro-4-(tetrahydro-1,1-dioxido-2H-thiopyran-4-yl)phenyl)-2-oxo-5-oxazolidinyl)methyl)acetamide
CID 478257

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide (CID 129071170) is N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2ccc(N3C[C@H](CN)OC3=O)cc2F)cc1.
What is the InChIKey of N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide?
The InChIKey is DGJKTARIZPNTSV-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H18FN3O4S/c1-26(23,24)20-12-4-2-11(3-5-12)15-7-6-13(8-16(15)18)21-10-14(9-19)25-17(21)22/h2-8,14,20H,9-10,19H2,1H3/t14-/m0/s1.
What are the key properties of N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide?
N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide has a molecular weight of 379.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]phenyl]methanesulfonamide is sourced from PubChem (CID 129071170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).