4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

C20H21F2N3O5S — CID 51351498

IUPAC4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H21F2N3O5S/c21-14-1-4-17(5-2-14)31(27,28)23-12-16-13-25(20(26)30-16)15-3-6-19(18(22)11-15)24-7-9-29-10-8-24/h1-6,11,16,23H,7-10,12-13H2/t16-/m0/s1
InChIKeyJPMJELIDHBAGPA-INIZCTEOSA-N
MW453.47 g/mol
LogP2.11
Rot. Bonds6

About 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide

4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (PubChem CID 51351498) has the molecular formula C20H21F2N3O5S and a molecular weight of 453.47 g/mol. Its IUPAC name is 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
PubChem CID51351498
Molecular FormulaC20H21F2N3O5S
Molecular Weight453.47 g/mol
Exact Mass453.12
IUPAC Name4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide
SMILESO=C1O[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C20H21F2N3O5S/c21-14-1-4-17(5-2-14)31(27,28)23-12-16-13-25(20(26)30-16)15-3-6-19(18(22)11-15)24-7-9-29-10-8-24/h1-6,11,16,23H,7-10,12-13H2/t16-/m0/s1
InChIKeyJPMJELIDHBAGPA-INIZCTEOSA-N
XLogP2.11
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

Carbamic acid, (4-(((3-(4-morpholinyl)propyl)amino)sulfonyl)phenyl)-, ethyl ester
CID 2185728
methyl N-{[(5S)-3-[4-(1,1-dioxo-1lambda6-thiomorpholin-4-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl}carbamate
CID 156857753
N-Phenyl-4-(phenylsulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 45555989
4-(benzenesulfonyl)-6,6-difluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 57403243
(S)-N-((3-(3-fluoro-4-(1-oxidothiomorpholino)phenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 465952
(S)-N-((3-(4-(1,1-dioxidothiomorpholino)-3-fluorophenyl)-2-oxooxazolidin-5-yl)methyl)acetamide
CID 465953
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456
(6R)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 70687123
(6S)-4-(benzenesulfonyl)-6-fluoro-N-phenyl-1-oxa-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 70687129
2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
CID 2398321
N-(4-{[3-fluoro-4-(morpholin-4-yl)phenyl]sulfamoyl}phenyl)acetamide
CID 659430
4-fluoro-N-(4-morpholinophenyl)benzenesulfonamide
CID 784121

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide (CID 51351498) is 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is O=C1O[C@@H](CNS(=O)(=O)c2ccc(F)cc2)CN1c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
The InChIKey is JPMJELIDHBAGPA-INIZCTEOSA-N. The full InChI is InChI=1S/C20H21F2N3O5S/c21-14-1-4-17(5-2-14)31(27,28)23-12-16-13-25(20(26)30-16)15-3-6-19(18(22)11-15)24-7-9-29-10-8-24/h1-6,11,16,23H,7-10,12-13H2/t16-/m0/s1.
What are the key properties of 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide has a molecular weight of 453.47 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[(5R)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 51351498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).