N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide

C13H9FN2O2S2 — CID 99830045

IUPACN-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2sncc2c1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2S2/c14-10-1-4-12(5-2-10)20(17,18)16-11-3-6-13-9(7-11)8-15-19-13/h1-8,16H
InChIKeyKSRASDHISLSUGP-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.24
Rot. Bonds3

About N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide

N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 99830045) has the molecular formula C13H9FN2O2S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID99830045
Molecular FormulaC13H9FN2O2S2
Molecular Weight308.36 g/mol
Exact Mass308.01
IUPAC NameN-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc2sncc2c1)c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O2S2/c14-10-1-4-12(5-2-10)20(17,18)16-11-3-6-13-9(7-11)8-15-19-13/h1-8,16H
InChIKeyKSRASDHISLSUGP-UHFFFAOYSA-N
XLogP3.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide (CID 99830045) is N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc2sncc2c1)c1ccc(F)cc1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is KSRASDHISLSUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O2S2/c14-10-1-4-12(5-2-10)20(17,18)16-11-3-6-13-9(7-11)8-15-19-13/h1-8,16H.
What are the key properties of N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide?
N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 99830045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).