N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide

C19H21N3O4S — CID 71060210

IUPACN-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NNC(c3ccc4c(c3)OCCO4)C2)cc1
InChIInChI=1S/C19H21N3O4S/c1-2-27(23,24)22-15-6-3-13(4-7-15)16-12-17(21-20-16)14-5-8-18-19(11-14)26-10-9-25-18/h3-8,11,17,21-22H,2,9-10,12H2,1H3
InChIKeyOZUZRFGNVYILDZ-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide

N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide (PubChem CID 71060210) has the molecular formula C19H21N3O4S and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide
PubChem CID71060210
Molecular FormulaC19H21N3O4S
Molecular Weight387.46 g/mol
Exact Mass387.13
IUPAC NameN-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2=NNC(c3ccc4c(c3)OCCO4)C2)cc1
InChIInChI=1S/C19H21N3O4S/c1-2-27(23,24)22-15-6-3-13(4-7-15)16-12-17(21-20-16)14-5-8-18-19(11-14)26-10-9-25-18/h3-8,11,17,21-22H,2,9-10,12H2,1H3
InChIKeyOZUZRFGNVYILDZ-UHFFFAOYSA-N
XLogP2.66
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide
CID 123515584
N-[4-[2-acetyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71060306
3-(1,3-benzodioxol-5-yl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 53298015
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]acetamide
CID 53298016
N-[4-[(5S)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl]acetamide
CID 95861300
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]ethanesulfonamide
CID 113036265
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 83092877
N-[4-[(3R)-3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 1093229
N-[4-[2-ethylsulfonyl-3-(4-fluorophenyl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 3968937
3-(4-methylphenyl)-5-phenyl-4,5-dihydro-1H-pyrazole
CID 14956433
(5R)-3,5-bis(4-nitrophenyl)-4,5-dihydro-1H-pyrazole
CID 100816860

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide (CID 71060210) is N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2=NNC(c3ccc4c(c3)OCCO4)C2)cc1.
What is the InChIKey of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide?
The InChIKey is OZUZRFGNVYILDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S/c1-2-27(23,24)22-15-6-3-13(4-7-15)16-12-17(21-20-16)14-5-8-18-19(11-14)26-10-9-25-18/h3-8,11,17,21-22H,2,9-10,12H2,1H3.
What are the key properties of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide?
N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 71060210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).