N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C15H19N3O4S — CID 126789295

IUPACN-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCCCc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n[nH]1
InChIInChI=1S/C15H19N3O4S/c1-2-3-4-11-9-15(17-16-11)18-23(19,20)12-5-6-13-14(10-12)22-8-7-21-13/h5-6,9-10H,2-4,7-8H2,1H3,(H2,16,17,18)
InChIKeyJOQDGSHQVGFROA-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.32
Rot. Bonds6

About N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 126789295) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID126789295
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESCCCCc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n[nH]1
InChIInChI=1S/C15H19N3O4S/c1-2-3-4-11-9-15(17-16-11)18-23(19,20)12-5-6-13-14(10-12)22-8-7-21-13/h5-6,9-10H,2-4,7-8H2,1H3,(H2,16,17,18)
InChIKeyJOQDGSHQVGFROA-UHFFFAOYSA-N
XLogP2.32
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pentylamino)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113044728
N-[5-(propylamino)-2-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113023518
N-[6-(butylamino)-3-pyridinyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113009544
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 104620727
3-amino-4-hydroxy-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616817
N-(5-ethyl-1H-pyrazol-3-yl)-4-propylbenzenesulfonamide
CID 115701449
1-methyl-N-(5-propyl-1H-pyrazol-3-yl)pyrazole-4-sulfonamide
CID 112699565
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
6-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-3-sulfonamide
CID 104619447
6-amino-N-(5-propyl-1H-pyrazol-3-yl)pyridine-3-sulfonamide
CID 104616839
N-(6-bromo-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 43520660
N-(4-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110776965

Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 126789295) is N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is CCCCc1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n[nH]1.
What is the InChIKey of N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is JOQDGSHQVGFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-2-3-4-11-9-15(17-16-11)18-23(19,20)12-5-6-13-14(10-12)22-8-7-21-13/h5-6,9-10H,2-4,7-8H2,1H3,(H2,16,17,18).
What are the key properties of N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 337.40 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 126789295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).