N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide

C13H12N4O5S2 — CID 2738727

IUPACN-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C13H12N4O5S2/c14-23(18,19)10-6-4-9(5-7-10)8-15-24(20,21)12-3-1-2-11-13(12)17-22-16-11/h1-7,15H,8H2,(H2,14,18,19)
InChIKeyPAFMNHWWRAWUJD-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.35
Rot. Bonds5

About N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 2738727) has the molecular formula C13H12N4O5S2 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID2738727
Molecular FormulaC13H12N4O5S2
Molecular Weight368.40 g/mol
Exact Mass368.02
IUPAC NameN-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1
InChIInChI=1S/C13H12N4O5S2/c14-23(18,19)10-6-4-9(5-7-10)8-15-24(20,21)12-3-1-2-11-13(12)17-22-16-11/h1-7,15H,8H2,(H2,14,18,19)
InChIKeyPAFMNHWWRAWUJD-UHFFFAOYSA-N
XLogP0.35
TPSA145.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3-Methylpiperidin-1-yl)sulfonyl]-2,1,3-benzoxadiazole
CID 2842396
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
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 1943929
N-(1-naphthyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 2814660
N-(2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465446
N-(4-fluoro-2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 6467686
N-[2-(methylsulfanyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 6468224
N-(3-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 758956
N-benzyl-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 4688531

Frequently Asked Questions

What is the IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 2738727) is N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide is NS(=O)(=O)c1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1.
What is the InChIKey of N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is PAFMNHWWRAWUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O5S2/c14-23(18,19)10-6-4-9(5-7-10)8-15-24(20,21)12-3-1-2-11-13(12)17-22-16-11/h1-7,15H,8H2,(H2,14,18,19).
What are the key properties of N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 368.40 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-sulfamoylphenyl)methyl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 2738727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).