N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide

C15H10ClN3O5S — CID 110402617

IUPACN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H10ClN3O5S/c16-11-6-4-10(5-7-11)14-9-17-24-15(14)18-25(22,23)13-3-1-2-12(8-13)19(20)21/h1-9,18H
InChIKeyNWHOXCHCJFABKP-UHFFFAOYSA-N
MW379.78 g/mol
LogP3.70
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide

N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide (PubChem CID 110402617) has the molecular formula C15H10ClN3O5S and a molecular weight of 379.78 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide
PubChem CID110402617
Molecular FormulaC15H10ClN3O5S
Molecular Weight379.78 g/mol
Exact Mass379.00
IUPAC NameN-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C15H10ClN3O5S/c16-11-6-4-10(5-7-11)14-9-17-24-15(14)18-25(22,23)13-3-1-2-12(8-13)19(20)21/h1-9,18H
InChIKeyNWHOXCHCJFABKP-UHFFFAOYSA-N
XLogP3.70
TPSA115.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.78
LogP ≤ 53.70
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-methyl-N-(4-phenyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 110402160
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 22202678
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
3-nitro-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634701
3-nitro-N-[4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
CID 99842077
4-chlorobenzenesulfonic acid;3-nitrobenzenesulfonic acid
CID 88780648
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-1-phenylmethanesulfonamide
CID 110402597
N-[4-(1,3-benzothiazol-2-yl)-1,2-oxazol-5-yl]-4-(4-chlorophenyl)benzenesulfonamide
CID 45273120
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201790
N-(4-methylphenyl)-3-nitrobenzenesulfonamide;hydrate
CID 90481492
N-(4-chloro-3-nitrophenyl)-3-nitrobenzenesulfonamide
CID 19203778
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-nitrobenzenesulfonamide
CID 22201837

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide (CID 110402617) is N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide?
The InChIKey is NWHOXCHCJFABKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O5S/c16-11-6-4-10(5-7-11)14-9-17-24-15(14)18-25(22,23)13-3-1-2-12(8-13)19(20)21/h1-9,18H.
What are the key properties of N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide?
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide has a molecular weight of 379.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide is sourced from PubChem (CID 110402617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).