N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

C13H10FN3O2S2 — CID 69369794

IUPACN-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc2nsnc2c1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O2S2/c1-8-6-7-11-12(16-20-15-11)13(8)21(18,19)17-10-5-3-2-4-9(10)14/h2-7,17H,1H3
InChIKeyYQPKDNRVRDXJMZ-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.94
Rot. Bonds3

About N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide

N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 69369794) has the molecular formula C13H10FN3O2S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID69369794
Molecular FormulaC13H10FN3O2S2
Molecular Weight323.37 g/mol
Exact Mass323.02
IUPAC NameN-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccc2nsnc2c1S(=O)(=O)Nc1ccccc1F
InChIInChI=1S/C13H10FN3O2S2/c1-8-6-7-11-12(16-20-15-11)13(8)21(18,19)17-10-5-3-2-4-9(10)14/h2-7,17H,1H3
InChIKeyYQPKDNRVRDXJMZ-UHFFFAOYSA-N
XLogP2.94
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22773407
5-methyl-2,1,3-benzothiadiazole-4-sulfonyl chloride;hydrochloride
CID 45074817
2,3,4,5,6-pentafluoro-N-(2-fluorophenyl)benzenesulfonamide
CID 134093089
ethyl 4-[(5-methyl-2,1,3-benzothiadiazol-4-yl)sulfonylamino]benzoate
CID 5302755
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
N-[3-(2-fluoroanilino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 1402906
N-(2-methylsulfanylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22775212
N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorophenyl]-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 10213398
3-amino-N-(2-fluorophenyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105357989
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
N-(2-fluorophenyl)-2,5-dimethyl-4-(1,2-oxazol-5-yl)thiophene-3-sulfonamide
CID 53057084

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 69369794) is N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide is Cc1ccc2nsnc2c1S(=O)(=O)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is YQPKDNRVRDXJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O2S2/c1-8-6-7-11-12(16-20-15-11)13(8)21(18,19)17-10-5-3-2-4-9(10)14/h2-7,17H,1H3.
What are the key properties of N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 323.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-5-methyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 69369794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).