N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide

C16H13N3O4S — CID 110868216

IUPACN-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O4S/c20-24(21,12-6-7-14-15(8-12)23-10-22-14)19-16-9-13(17-18-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19)
InChIKeyZWIMIQZROGUWSE-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.61
Rot. Bonds4

About N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide

N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110868216) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110868216
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O4S/c20-24(21,12-6-7-14-15(8-12)23-10-22-14)19-16-9-13(17-18-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19)
InChIKeyZWIMIQZROGUWSE-UHFFFAOYSA-N
XLogP2.61
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-carboxamide
CID 35532209
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 166202904
N-[5-[(2-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026562
N-(5-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 126789295
N-(2H-benzotriazol-4-yl)-1,3-benzodioxole-5-sulfonamide
CID 110732214
N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
CID 110731351
N-(5-pyridin-4-yl-1H-pyrazol-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110281086
N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110318486
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113026762
N-[6-(prop-2-enylamino)pyridazin-3-yl]-1,3-benzodioxole-5-sulfonamide
CID 113038278

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide (CID 110868216) is N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is ZWIMIQZROGUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-24(21,12-6-7-14-15(8-12)23-10-22-14)19-16-9-13(17-18-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,17,18,19).
What are the key properties of N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide?
N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 343.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1H-pyrazol-3-yl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110868216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).