N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide

C21H14ClN3O5S — CID 167970264

IUPACN-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(-c2cc(S(=O)(=O)Nc3ccccc3-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C21H14ClN3O5S/c22-16-9-5-14(6-10-16)18-3-1-2-4-19(18)24-31(28,29)21-13-20(23-30-21)15-7-11-17(12-8-15)25(26)27/h1-13,24H
InChIKeyXZNDDAQUBMDQJU-UHFFFAOYSA-N
MW455.88 g/mol
LogP5.37
Rot. Bonds6

About N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide

N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide (PubChem CID 167970264) has the molecular formula C21H14ClN3O5S and a molecular weight of 455.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide
PubChem CID167970264
Molecular FormulaC21H14ClN3O5S
Molecular Weight455.88 g/mol
Exact Mass455.03
IUPAC NameN-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide
SMILESO=[N+]([O-])c1ccc(-c2cc(S(=O)(=O)Nc3ccccc3-c3ccc(Cl)cc3)on2)cc1
InChIInChI=1S/C21H14ClN3O5S/c22-16-9-5-14(6-10-16)18-3-1-2-4-19(18)24-31(28,29)21-13-20(23-30-21)15-7-11-17(12-8-15)25(26)27/h1-13,24H
InChIKeyXZNDDAQUBMDQJU-UHFFFAOYSA-N
XLogP5.37
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.88
LogP ≤ 55.37
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-(4-chlorophenyl)-5-(4-nitrophenyl)-1,2-oxazole
CID 165349290
5-chloro-3-(4-nitrophenyl)-1,2-oxazole
CID 15258968
N-[3-(4-chlorophenyl)-5-(4-nitrophenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215722
4-chloro-N-[2-[2-[(4-chlorophenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 3366097
N-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 112503109
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide
CID 110402617
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061
1-(4-chlorophenyl)-3-[2-[(4-nitrophenyl)sulfonylamino]phenyl]urea
CID 171352632
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081
4-chloro-N-(2-chloro-4-nitrophenyl)benzenesulfonamide
CID 2796797
CID 70381437
CID 70381437

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide (CID 167970264) is N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide is O=[N+]([O-])c1ccc(-c2cc(S(=O)(=O)Nc3ccccc3-c3ccc(Cl)cc3)on2)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide?
The InChIKey is XZNDDAQUBMDQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3O5S/c22-16-9-5-14(6-10-16)18-3-1-2-4-19(18)24-31(28,29)21-13-20(23-30-21)15-7-11-17(12-8-15)25(26)27/h1-13,24H.
What are the key properties of N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide?
N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide has a molecular weight of 455.88 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)phenyl]-3-(4-nitrophenyl)-1,2-oxazole-5-sulfonamide is sourced from PubChem (CID 167970264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).