N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

C13H9F2N3O3S2 — CID 8933439

IUPACN-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1cccc2nsnc12
InChIInChI=1S/C13H9F2N3O3S2/c14-13(15)21-10-6-2-1-4-8(10)18-23(19,20)11-7-3-5-9-12(11)17-22-16-9/h1-7,13,18H
InChIKeyLZTSOSVWBIGVFP-UHFFFAOYSA-N
MW357.36 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 8933439) has the molecular formula C13H9F2N3O3S2 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID8933439
Molecular FormulaC13H9F2N3O3S2
Molecular Weight357.36 g/mol
Exact Mass357.01
IUPAC NameN-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OC(F)F)c1cccc2nsnc12
InChIInChI=1S/C13H9F2N3O3S2/c14-13(15)21-10-6-2-1-4-8(10)18-23(19,20)11-7-3-5-9-12(11)17-22-16-9/h1-7,13,18H
InChIKeyLZTSOSVWBIGVFP-UHFFFAOYSA-N
XLogP3.09
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 19684090
N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22775212
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
N-(4-methoxy-2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202569
N-[2-(difluoromethoxy)phenyl]benzenesulfonamide
CID 8504766
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoate
CID 22775148
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122303180
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 1402906
methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-fluorobenzoate
CID 67202118
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)naphthalene-1-carboxylic acid
CID 10000157
N-(1H-pyrazol-5-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 61394195

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 8933439) is N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(Nc1ccccc1OC(F)F)c1cccc2nsnc12.
What is the InChIKey of N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is LZTSOSVWBIGVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3S2/c14-13(15)21-10-6-2-1-4-8(10)18-23(19,20)11-7-3-5-9-12(11)17-22-16-9/h1-7,13,18H.
What are the key properties of N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 357.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)phenyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 8933439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).