N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide

C16H13N3O4S — CID 110731351

IUPACN-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O4S/c20-24(21,14-6-7-15-16(10-14)23-11-22-15)18-12-2-4-13(5-3-12)19-9-1-8-17-19/h1-10,18H,11H2
InChIKeyKLTHWHNYGSVPHC-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.40
Rot. Bonds4

About N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide

N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide (PubChem CID 110731351) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
PubChem CID110731351
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC NameN-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C16H13N3O4S/c20-24(21,14-6-7-15-16(10-14)23-11-22-15)18-12-2-4-13(5-3-12)19-9-1-8-17-19/h1-10,18H,11H2
InChIKeyKLTHWHNYGSVPHC-UHFFFAOYSA-N
XLogP2.40
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-fluoro-4-pyrazol-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 47060094
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171
N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112981618
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzodioxole-5-sulfonamide
CID 110776722
N-[4-(cycloheptylamino)phenyl]-1,3-benzodioxole-5-sulfonamide
CID 112985026
N-(1,3-benzodioxol-5-yl)-4-fluorobenzenesulfonamide
CID 718546
N-(4-bromo-3-methylphenyl)-4-pyrazol-1-ylbenzenesulfonamide
CID 20914800
4-pyrazol-1-yl-N-[4-[(6-pyrazol-1-ylpyrimidin-4-yl)amino]phenyl]benzenesulfonamide
CID 122290772
4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-phenylpyrazol-3-yl)benzamide
CID 55566549
N-(4-iodophenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1102354
N-[6-(cyclopentylamino)-3-pyridinyl]-1,3-benzodioxole-5-sulfonamide
CID 113009951
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]benzenesulfonamide
CID 112989197

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The IUPAC name of N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide (CID 110731351) is N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide.
What is the SMILES notation for N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The canonical SMILES for N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide is O=S(=O)(Nc1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
The InChIKey is KLTHWHNYGSVPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-24(21,14-6-7-15-16(10-14)23-11-22-15)18-12-2-4-13(5-3-12)19-9-1-8-17-19/h1-10,18H,11H2.
What are the key properties of N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide?
N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide has a molecular weight of 343.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylphenyl)-1,3-benzodioxole-5-sulfonamide is sourced from PubChem (CID 110731351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).