4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide

C15H11N3O5S — CID 58896227

IUPAC4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1
InChIInChI=1S/C15H11N3O5S/c19-18(20)13-4-6-14(7-5-13)24(21,22)17-12-3-1-2-11(8-12)15-9-16-10-23-15/h1-10,17H
InChIKeyOOUOMHBRCBOUGV-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.05
Rot. Bonds5

About 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide

4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide (PubChem CID 58896227) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
PubChem CID58896227
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1
InChIInChI=1S/C15H11N3O5S/c19-18(20)13-4-6-14(7-5-13)24(21,22)17-12-3-1-2-11(8-12)15-9-16-10-23-15/h1-10,17H
InChIKeyOOUOMHBRCBOUGV-UHFFFAOYSA-N
XLogP3.05
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 55826465
N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3733543
N-[3-(1,3-oxazol-5-yl)phenyl]-1H-pyrazole-5-sulfonamide
CID 102691965
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
2,3-dimethyl-5-nitro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 87008464
N-[3-(1,3-oxazol-5-yl)phenyl]-2-(trifluoromethoxy)benzenesulfonamide
CID 3796264
3-[(4-nitrophenyl)sulfonylamino]benzoic acid
CID 7938678
(2R)-1-acetyl-2-methyl-N-[3-(1,3-oxazol-5-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 51963359
3,4-dichloro-N-[4-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide
CID 2806355
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-4-nitrobenzenesulfonamide
CID 2981233
4-(4-nitrophenoxy)-N-pyridin-3-ylbenzenesulfonamide
CID 1355803
N-[3-[(4-nitrophenyl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 35540750

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide (CID 58896227) is 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)cc1.
What is the InChIKey of 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
The InChIKey is OOUOMHBRCBOUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c19-18(20)13-4-6-14(7-5-13)24(21,22)17-12-3-1-2-11(8-12)15-9-16-10-23-15/h1-10,17H.
What are the key properties of 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide?
4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide has a molecular weight of 345.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[3-(1,3-oxazol-5-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 58896227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).