3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

C15H11N3O5S — CID 99842077

IUPAC3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1
InChIInChI=1S/C15H11N3O5S/c19-18(20)13-2-1-3-14(10-13)24(21,22)17-12-6-4-11(5-7-12)15-16-8-9-23-15/h1-10,17H
InChIKeyGWVHSUXIUWOGFK-UHFFFAOYSA-N
MW345.34 g/mol
LogP3.05
Rot. Bonds5

About 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 99842077) has the molecular formula C15H11N3O5S and a molecular weight of 345.34 g/mol. Its IUPAC name is 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
PubChem CID99842077
Molecular FormulaC15H11N3O5S
Molecular Weight345.34 g/mol
Exact Mass345.04
IUPAC Name3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1
InChIInChI=1S/C15H11N3O5S/c19-18(20)13-2-1-3-14(10-13)24(21,22)17-12-6-4-11(5-7-12)15-16-8-9-23-15/h1-10,17H
InChIKeyGWVHSUXIUWOGFK-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

3-nitro-N-[4-[5-[(3-nitrophenyl)sulfonylamino]-1,3-benzoxazol-2-yl]phenyl]benzenesulfonamide
CID 134141423
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(4-bromophenyl)-3-nitrobenzenesulfonamide
CID 598510
N-(2-methyl-4-pyridinyl)-3-nitrobenzenesulfonamide
CID 110756916
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
3-nitro-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 2887128
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634701
3-nitro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 58874615
4-[(3-nitrophenyl)sulfonylamino]-N-(5-phenyl-2-pyridinyl)benzamide
CID 55951039
3-nitro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202762
N-(3-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 64794397

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 99842077) is 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ncco3)cc2)c1.
What is the InChIKey of 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
The InChIKey is GWVHSUXIUWOGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O5S/c19-18(20)13-2-1-3-14(10-13)24(21,22)17-12-6-4-11(5-7-12)15-16-8-9-23-15/h1-10,17H.
What are the key properties of 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?
3-nitro-N-[4-(1,3-oxazol-2-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 3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 99842077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).