5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide

C19H18ClN5O7S — CID 139910192

IUPAC5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide
SMILESCc1nc(-c2ccc(N3CC(CNS(=O)(=O)C4=CC=CC(Cl)([N+](=O)[O-])C4)OC3=O)cc2)no1
InChIInChI=1S/C19H18ClN5O7S/c1-12-22-17(23-32-12)13-4-6-14(7-5-13)24-11-15(31-18(24)26)10-21-33(29,30)16-3-2-8-19(20,9-16)25(27)28/h2-8,15,21H,9-11H2,1H3
InChIKeyZIEIVWSFFAORJI-UHFFFAOYSA-N
MW495.90 g/mol
LogP2.35
Rot. Bonds7

About 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide

5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide (PubChem CID 139910192) has the molecular formula C19H18ClN5O7S and a molecular weight of 495.90 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide
PubChem CID139910192
Molecular FormulaC19H18ClN5O7S
Molecular Weight495.90 g/mol
Exact Mass495.06
IUPAC Name5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide
SMILESCc1nc(-c2ccc(N3CC(CNS(=O)(=O)C4=CC=CC(Cl)([N+](=O)[O-])C4)OC3=O)cc2)no1
InChIInChI=1S/C19H18ClN5O7S/c1-12-22-17(23-32-12)13-4-6-14(7-5-13)24-11-15(31-18(24)26)10-21-33(29,30)16-3-2-8-19(20,9-16)25(27)28/h2-8,15,21H,9-11H2,1H3
InChIKeyZIEIVWSFFAORJI-UHFFFAOYSA-N
XLogP2.35
TPSA157.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.90
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 57250790
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butane-1-sulfonamide
CID 54541927
N-[4-[methyl-[2-[methyl-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]ethyl]sulfamoyl]phenyl]acetamide
CID 54452960
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] methanesulfonate
CID 151574030
N-methyl-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylethenesulfonamide
CID 70072551
N-(4-fluoro-3-nitrophenyl)-4-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-1-carboxamide
CID 10301822
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
CID 54156009
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-1,3-oxazolidin-2-one;4-(trifluoromethyl)benzenesulfonyl chloride
CID 158204711
3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[[4-(3-nitrobenzoyl)piperazin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 54318818
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]methanesulfonamide
CID 16922479
[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl] hydrogen carbonate
CID 70098731
N-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-4-ethylbenzenesulfonamide
CID 110327987

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide (CID 139910192) is 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide is Cc1nc(-c2ccc(N3CC(CNS(=O)(=O)C4=CC=CC(Cl)([N+](=O)[O-])C4)OC3=O)cc2)no1.
What is the InChIKey of 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is ZIEIVWSFFAORJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O7S/c1-12-22-17(23-32-12)13-4-6-14(7-5-13)24-11-15(31-18(24)26)10-21-33(29,30)16-3-2-8-19(20,9-16)25(27)28/h2-8,15,21H,9-11H2,1H3.
What are the key properties of 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide?
5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 495.90 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-nitrocyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 139910192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).