N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide

C10H10N4O4S — CID 102690534

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)c1ccn[nH]1)OCO2
InChIInChI=1S/C10H10N4O4S/c11-6-3-8-9(18-5-17-8)4-7(6)14-19(15,16)10-1-2-12-13-10/h1-4,14H,5,11H2,(H,12,13)
InChIKeyMMBUOUCFYJDUFV-UHFFFAOYSA-N
MW282.28 g/mol
LogP0.52
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide

N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102690534) has the molecular formula C10H10N4O4S and a molecular weight of 282.28 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102690534
Molecular FormulaC10H10N4O4S
Molecular Weight282.28 g/mol
Exact Mass282.04
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide
SMILESNc1cc2c(cc1NS(=O)(=O)c1ccn[nH]1)OCO2
InChIInChI=1S/C10H10N4O4S/c11-6-3-8-9(18-5-17-8)4-7(6)14-19(15,16)10-1-2-12-13-10/h1-4,14H,5,11H2,(H,12,13)
InChIKeyMMBUOUCFYJDUFV-UHFFFAOYSA-N
XLogP0.52
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102692511
N-(6-amino-1,3-benzodioxol-5-yl)-5-methylthiophene-2-sulfonamide
CID 43550425
N-(6-amino-1,3-benzodioxol-5-yl)ethanesulfonamide
CID 43550435
N-(2,3,5-trifluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102692960
N-(3-amino-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102690598
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(2-fluoro-5-sulfamoylphenyl)-1H-pyrazole-5-sulfonamide
CID 102693891
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazole-4-sulfonamide
CID 60915947
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629
N-[3-(sulfamoylamino)phenyl]-1H-pyrazole-5-sulfonamide
CID 102692751
N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpyrazole-3-sulfonamide
CID 104709410

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide (CID 102690534) is N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide is Nc1cc2c(cc1NS(=O)(=O)c1ccn[nH]1)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is MMBUOUCFYJDUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4S/c11-6-3-8-9(18-5-17-8)4-7(6)14-19(15,16)10-1-2-12-13-10/h1-4,14H,5,11H2,(H,12,13).
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide?
N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 282.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102690534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).