2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide

C13H10FN3O2S2 — CID 60986077

IUPAC2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10FN3O2S2/c14-8-5-6-9(15)12(7-8)21(18,19)17-13-16-10-3-1-2-4-11(10)20-13/h1-7H,15H2,(H,16,17)
InChIKeyCVFZAVDWFOMMMI-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.82
Rot. Bonds3

About 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide

2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide (PubChem CID 60986077) has the molecular formula C13H10FN3O2S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
PubChem CID60986077
Molecular FormulaC13H10FN3O2S2
Molecular Weight323.37 g/mol
Exact Mass323.02
IUPAC Name2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide
SMILESNc1ccc(F)cc1S(=O)(=O)Nc1nc2ccccc2s1
InChIInChI=1S/C13H10FN3O2S2/c14-8-5-6-9(15)12(7-8)21(18,19)17-13-16-10-3-1-2-4-11(10)20-13/h1-7H,15H2,(H,16,17)
InChIKeyCVFZAVDWFOMMMI-UHFFFAOYSA-N
XLogP2.82
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 3745144
N-(1,3-benzothiazol-2-yl)-2-(2-fluoro-4-nitrophenoxy)benzenesulfonamide
CID 89047357
N-(1,3-benzothiazol-2-yl)-4-chloro-2,5-dimethylbenzenesulfonamide
CID 19683407
N-(1,3-benzothiazol-2-yl)-5-bromo-2-methylbenzenesulfonamide
CID 60661212
N-(1,3-benzothiazol-2-yl)-5-chlorothiophene-2-sulfonamide
CID 893880
5-chloro-N-(5-fluoro-1,3-benzothiazol-2-yl)thiophene-2-sulfonamide
CID 167944643
N-(1,3-benzothiazol-2-yl)-5-bromo-2-chloropyridine-3-sulfonamide
CID 61300831
N-(6-amino-1,3-benzothiazol-2-yl)-2-chlorobenzenesulfonamide
CID 28970981
4-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)benzenesulfonamide
CID 16934058
N-(1,3-benzothiazol-2-yl)-3-nitrobenzenesulfonamide
CID 19203758
2-amino-5-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 54888611
N-(1,3-benzothiazol-2-yl)ethanesulfonamide
CID 1228177

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide (CID 60986077) is 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide is Nc1ccc(F)cc1S(=O)(=O)Nc1nc2ccccc2s1.
What is the InChIKey of 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide?
The InChIKey is CVFZAVDWFOMMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S2/c14-8-5-6-9(15)12(7-8)21(18,19)17-13-16-10-3-1-2-4-11(10)20-13/h1-7H,15H2,(H,16,17).
What are the key properties of 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide?
2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide has a molecular weight of 323.37 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzothiazol-2-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 60986077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).