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

C16H12Cl2N2O4S — CID 110402595

IUPAC3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H12Cl2N2O4S/c1-23-15-7-6-12(8-14(15)18)25(21,22)20-16-13(9-19-24-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3
InChIKeyWWTRPCNHTUALSH-UHFFFAOYSA-N
MW399.26 g/mol
LogP4.46
Rot. Bonds5

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

3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide (PubChem CID 110402595) has the molecular formula C16H12Cl2N2O4S and a molecular weight of 399.26 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
PubChem CID110402595
Molecular FormulaC16H12Cl2N2O4S
Molecular Weight399.26 g/mol
Exact Mass397.99
IUPAC Name3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H12Cl2N2O4S/c1-23-15-7-6-12(8-14(15)18)25(21,22)20-16-13(9-19-24-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3
InChIKeyWWTRPCNHTUALSH-UHFFFAOYSA-N
XLogP4.46
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
CID 110402703
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-3-nitrobenzenesulfonamide
CID 110402617
3-acetyl-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402619
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
3-chloro-N-(5-chloro-2-methoxyphenyl)-4-methoxybenzenesulfonamide
CID 5202468
3-chloro-4-methoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 110756685
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110402478
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
3-chloro-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 112691520

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide (CID 110402595) is 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2oncc2-c2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide?
The InChIKey is WWTRPCNHTUALSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O4S/c1-23-15-7-6-12(8-14(15)18)25(21,22)20-16-13(9-19-24-16)10-2-4-11(17)5-3-10/h2-9,20H,1H3.
What are the key properties of 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide?
3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide has a molecular weight of 399.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 110402595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).