N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide

C18H14N2O3S — CID 25211124

IUPACN-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C18H14N2O3S/c1-19-24(21,22)15-8-9-17-16(11-15)20-18(23-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,19H,1H3
InChIKeyOMSGDGCRLHEYJX-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.56
Rot. Bonds3

About N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide

N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide (PubChem CID 25211124) has the molecular formula C18H14N2O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide
PubChem CID25211124
Molecular FormulaC18H14N2O3S
Molecular Weight338.39 g/mol
Exact Mass338.07
IUPAC NameN-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1
InChIInChI=1S/C18H14N2O3S/c1-19-24(21,22)15-8-9-17-16(11-15)20-18(23-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,19H,1H3
InChIKeyOMSGDGCRLHEYJX-UHFFFAOYSA-N
XLogP3.56
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide (CID 25211124) is N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide is CNS(=O)(=O)c1ccc2oc(-c3ccc4ccccc4c3)nc2c1.
What is the InChIKey of N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide?
The InChIKey is OMSGDGCRLHEYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S/c1-19-24(21,22)15-8-9-17-16(11-15)20-18(23-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,19H,1H3.
What are the key properties of N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide?
N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide has a molecular weight of 338.39 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-2-yl-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 25211124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).