N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide

C16H11N3O3S — CID 2814660

IUPACN-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1cccc2nonc12
InChIInChI=1S/C16H11N3O3S/c20-23(21,15-10-4-9-14-16(15)18-22-17-14)19-13-8-3-6-11-5-1-2-7-12(11)13/h1-10,19H
InChIKeyLZTXMVHCZHWAOQ-UHFFFAOYSA-N
MW325.35 g/mol
LogP3.18
Rot. Bonds3

About N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide

N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 2814660) has the molecular formula C16H11N3O3S and a molecular weight of 325.35 g/mol. Its IUPAC name is N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID2814660
Molecular FormulaC16H11N3O3S
Molecular Weight325.35 g/mol
Exact Mass325.05
IUPAC NameN-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1cccc2ccccc12)c1cccc2nonc12
InChIInChI=1S/C16H11N3O3S/c20-23(21,15-10-4-9-14-16(15)18-22-17-14)19-13-8-3-6-11-5-1-2-7-12(11)13/h1-10,19H
InChIKeyLZTXMVHCZHWAOQ-UHFFFAOYSA-N
XLogP3.18
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide (CID 2814660) is N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(Nc1cccc2ccccc12)c1cccc2nonc12.
What is the InChIKey of N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is LZTXMVHCZHWAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3O3S/c20-23(21,15-10-4-9-14-16(15)18-22-17-14)19-13-8-3-6-11-5-1-2-7-12(11)13/h1-10,19H.
What are the key properties of N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide?
N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 325.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 2814660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).