N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide

C12H9N3O2S2 — CID 3585479

IUPACN-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc2nsnc12
InChIInChI=1S/C12H9N3O2S2/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
InChIKeyUFOIJEIIDTVUNO-UHFFFAOYSA-N
MW291.36 g/mol
LogP2.49
Rot. Bonds3

About N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide

N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 3585479) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID3585479
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC NameN-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc2nsnc12
InChIInChI=1S/C12H9N3O2S2/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h1-8,15H
InChIKeyUFOIJEIIDTVUNO-UHFFFAOYSA-N
XLogP2.49
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.49
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

4-(Piperazine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 931485
1-(Phenylsulfonyl)-1H-benzotriazole
CID 750248
4-(Piperidine-1-sulfonyl)-2,1,3-benzothiadiazole
CID 558425
N-(4-bromophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 998756
N-(2-ethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3626162
N-(2,5-difluorophenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465235
N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756494
2,1,3-Benzothiadiazole, 4-chlorosulfonyl-
CID 2735459
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756492

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide (CID 3585479) is N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide is O=S(=O)(Nc1ccccc1)c1cccc2nsnc12.
What is the InChIKey of N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is UFOIJEIIDTVUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2S2/c16-19(17,15-9-5-2-1-3-6-9)11-8-4-7-10-12(11)14-18-13-10/h1-8,15H.
What are the key properties of N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide?
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 291.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 3585479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).