N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

C13H9ClN2O4S — CID 2978549

IUPACN-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2o1
InChIInChI=1S/C13H9ClN2O4S/c14-8-1-3-9(4-2-8)16-21(18,19)10-5-6-11-12(7-10)20-13(17)15-11/h1-7,16H,(H,15,17)
InChIKeyRXFPYQONERLGIP-UHFFFAOYSA-N
MW324.75 g/mol
LogP2.58
Rot. Bonds3

About N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide

N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 2978549) has the molecular formula C13H9ClN2O4S and a molecular weight of 324.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID2978549
Molecular FormulaC13H9ClN2O4S
Molecular Weight324.75 g/mol
Exact Mass324.00
IUPAC NameN-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2o1
InChIInChI=1S/C13H9ClN2O4S/c14-8-1-3-9(4-2-8)16-21(18,19)10-5-6-11-12(7-10)20-13(17)15-11/h1-7,16H,(H,15,17)
InChIKeyRXFPYQONERLGIP-UHFFFAOYSA-N
XLogP2.58
TPSA92.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide (CID 2978549) is N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2o1.
What is the InChIKey of N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is RXFPYQONERLGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O4S/c14-8-1-3-9(4-2-8)16-21(18,19)10-5-6-11-12(7-10)20-13(17)15-11/h1-7,16H,(H,15,17).
What are the key properties of N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide?
N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 324.75 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 2978549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).