N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide

C14H12N2O3S2 — CID 711108

IUPACN-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H12N2O3S2/c1-19-10-6-8-11(9-7-10)21(17,18)16-14-15-12-4-2-3-5-13(12)20-14/h2-9H,1H3,(H,15,16)
InChIKeyHYZNPJPJBGTYEY-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.11
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide

N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide (PubChem CID 711108) has the molecular formula C14H12N2O3S2 and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
PubChem CID711108
Molecular FormulaC14H12N2O3S2
Molecular Weight320.40 g/mol
Exact Mass320.03
IUPAC NameN-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
InChIInChI=1S/C14H12N2O3S2/c1-19-10-6-8-11(9-7-10)21(17,18)16-14-15-12-4-2-3-5-13(12)20-14/h2-9H,1H3,(H,15,16)
InChIKeyHYZNPJPJBGTYEY-UHFFFAOYSA-N
XLogP3.11
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide (CID 711108) is N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
The InChIKey is HYZNPJPJBGTYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3S2/c1-19-10-6-8-11(9-7-10)21(17,18)16-14-15-12-4-2-3-5-13(12)20-14/h2-9H,1H3,(H,15,16).
What are the key properties of N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide?
N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide has a molecular weight of 320.40 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 711108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).