N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C15H14N2O4S — CID 110760655

IUPACN-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H14N2O4S/c1-17(10-11-5-3-2-4-6-11)22(19,20)12-7-8-14-13(9-12)16-15(18)21-14/h2-9H,10H2,1H3,(H,16,18)
InChIKeyJJOYRWBWJUYDFT-UHFFFAOYSA-N
MW318.35 g/mol
LogP1.94
Rot. Bonds4

About N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 110760655) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID110760655
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC NameN-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C15H14N2O4S/c1-17(10-11-5-3-2-4-6-11)22(19,20)12-7-8-14-13(9-12)16-15(18)21-14/h2-9H,10H2,1H3,(H,16,18)
InChIKeyJJOYRWBWJUYDFT-UHFFFAOYSA-N
XLogP1.94
TPSA83.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760690
N-methyl-2-oxo-N-(pyridin-4-ylmethyl)-3H-1,3-benzoxazole-6-sulfonamide
CID 110724834
N-methyl-2-oxo-N-(quinolin-8-ylmethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 131933717
3-[benzyl-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonyl]amino]propanoic acid
CID 45328014
N-benzyl-2-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-propan-2-ylacetamide
CID 110774001
N-benzyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846883
N-benzyl-N-ethyl-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
CID 110676949
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
3-amino-N-benzyl-4-ethyl-N-methylbenzenesulfonamide
CID 43257998
N-[2-(4-methoxyphenyl)ethyl]-N-methyl-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110288023
6-[benzyl(methyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxylate
CID 4050234

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 110760655) is N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is JJOYRWBWJUYDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-17(10-11-5-3-2-4-6-11)22(19,20)12-7-8-14-13(9-12)16-15(18)21-14/h2-9H,10H2,1H3,(H,16,18).
What are the key properties of N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 318.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 110760655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).