N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide

C14H12N2O4S — CID 1093470

IUPACN-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H12N2O4S/c1-16(10-5-3-2-4-6-10)21(18,19)11-7-8-12-13(9-11)20-14(17)15-12/h2-9H,1H3,(H,15,17)
InChIKeyHROOPDHAGQLZHO-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.95
Rot. Bonds3

About N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide

N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 1093470) has the molecular formula C14H12N2O4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID1093470
Molecular FormulaC14H12N2O4S
Molecular Weight304.33 g/mol
Exact Mass304.05
IUPAC NameN-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C14H12N2O4S/c1-16(10-5-3-2-4-6-10)21(18,19)11-7-8-12-13(9-11)20-14(17)15-12/h2-9H,1H3,(H,15,17)
InChIKeyHROOPDHAGQLZHO-UHFFFAOYSA-N
XLogP1.95
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide (CID 1093470) is N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HROOPDHAGQLZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4S/c1-16(10-5-3-2-4-6-10)21(18,19)11-7-8-12-13(9-11)20-14(17)15-12/h2-9H,1H3,(H,15,17).
What are the key properties of N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide?
N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-oxo-N-phenyl-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 1093470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).