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

C14H12N2O3S2 — CID 23275795

IUPAC6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18)
InChIKeyNKRUDBUTVFONMV-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.52
Rot. Bonds4

About 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide

6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide (PubChem CID 23275795) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide.

Molecular Properties

Compound Name6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
PubChem CID23275795
Molecular FormulaC14H12N2O3S2
Molecular Weight320.39 g/mol
Exact Mass320.03
IUPAC Name6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1
InChIInChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18)
InChIKeyNKRUDBUTVFONMV-UHFFFAOYSA-N
XLogP2.52
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-(2-Methoxyphenyl)benzothiazole
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4-(6-Methoxy-1,3-benzothiazol-2-yl)aniline
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1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-octane-1-sulfonic acid 2-(2-sulfamoyl-benzothiazol-6-yloxy)-ethyl ester
CID 10842801
2-(3-Methoxyphenyl)-1,3-benzothiazole
CID 833673
4-(6-Methoxybenzo[d]thiazol-2-yl)-N,N-dimethylaniline
CID 11129817
Benzothiazole, 6-methoxy-2,5-dimethyl-
CID 114285
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2-(2-Fluorophenyl)-6-Methoxy-1,3-Benzothiazole
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Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
The IUPAC name of 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide (CID 23275795) is 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide.
What is the SMILES notation for 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
The canonical SMILES for 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide is NS(=O)(=O)c1nc2ccc(OCc3ccccc3)cc2s1.
What is the InChIKey of 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
The InChIKey is NKRUDBUTVFONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c15-21(17,18)14-16-12-7-6-11(8-13(12)20-14)19-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,15,17,18).
What are the key properties of 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide?
6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide has a molecular weight of 320.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-1,3-benzothiazole-2-sulfonamide is sourced from PubChem (CID 23275795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).