N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide

C15H14N2O4S — CID 1093455

IUPACN,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C15H14N2O4S/c1-16-13-9-8-12(10-14(13)21-15(16)18)22(19,20)17(2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyHUJQGWQBCODBKM-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.96
Rot. Bonds3

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

N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide (PubChem CID 1093455) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound NameN,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
PubChem CID1093455
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
InChIInChI=1S/C15H14N2O4S/c1-16-13-9-8-12(10-14(13)21-15(16)18)22(19,20)17(2)11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyHUJQGWQBCODBKM-UHFFFAOYSA-N
XLogP1.96
TPSA72.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide (CID 1093455) is N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide is CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C.
What is the InChIKey of N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
The InChIKey is HUJQGWQBCODBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-16-13-9-8-12(10-14(13)21-15(16)18)22(19,20)17(2)11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide?
N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-oxo-N-phenyl-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 1093455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).