N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide

C14H12N2O3S2 — CID 69015020

IUPACN-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
SMILESO=S(=O)(NOCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2O3S2/c17-21(18,16-19-10-11-6-2-1-3-7-11)14-15-12-8-4-5-9-13(12)20-14/h1-9,16H,10H2
InChIKeyXSLMAHQMPDEGQW-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.71
Rot. Bonds5

About N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide

N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide (PubChem CID 69015020) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound NameN-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
PubChem CID69015020
Molecular FormulaC14H12N2O3S2
Molecular Weight320.39 g/mol
Exact Mass320.03
IUPAC NameN-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
SMILESO=S(=O)(NOCc1ccccc1)c1nc2ccccc2s1
InChIInChI=1S/C14H12N2O3S2/c17-21(18,16-19-10-11-6-2-1-3-7-11)14-15-12-8-4-5-9-13(12)20-14/h1-9,16H,10H2
InChIKeyXSLMAHQMPDEGQW-UHFFFAOYSA-N
XLogP2.71
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide (CID 69015020) is N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide is O=S(=O)(NOCc1ccccc1)c1nc2ccccc2s1.
What is the InChIKey of N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
The InChIKey is XSLMAHQMPDEGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c17-21(18,16-19-10-11-6-2-1-3-7-11)14-15-12-8-4-5-9-13(12)20-14/h1-9,16H,10H2.
What are the key properties of N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide has a molecular weight of 320.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylmethoxy-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 69015020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).