N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide

C11H10ClN3O4S — CID 47363917

IUPACN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cn[nH]c1
InChIInChI=1S/C11H10ClN3O4S/c12-8-3-10-11(19-2-1-18-10)4-9(8)15-20(16,17)7-5-13-14-6-7/h3-6,15H,1-2H2,(H,13,14)
InChIKeyHSVBOLORSIJLLP-UHFFFAOYSA-N
MW315.74 g/mol
LogP1.64
Rot. Bonds3

About N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide

N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide (PubChem CID 47363917) has the molecular formula C11H10ClN3O4S and a molecular weight of 315.74 g/mol. Its IUPAC name is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide
PubChem CID47363917
Molecular FormulaC11H10ClN3O4S
Molecular Weight315.74 g/mol
Exact Mass315.01
IUPAC NameN-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cn[nH]c1
InChIInChI=1S/C11H10ClN3O4S/c12-8-3-10-11(19-2-1-18-10)4-9(8)15-20(16,17)7-5-13-14-6-7/h3-6,15H,1-2H2,(H,13,14)
InChIKeyHSVBOLORSIJLLP-UHFFFAOYSA-N
XLogP1.64
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.74
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide (CID 47363917) is N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide is O=S(=O)(Nc1cc2c(cc1Cl)OCCO2)c1cn[nH]c1.
What is the InChIKey of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide?
The InChIKey is HSVBOLORSIJLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O4S/c12-8-3-10-11(19-2-1-18-10)4-9(8)15-20(16,17)7-5-13-14-6-7/h3-6,15H,1-2H2,(H,13,14).
What are the key properties of N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide?
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide has a molecular weight of 315.74 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47363917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).