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

C19H21N3O4S — CID 123515584

IUPACN-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2CC(c3ccc4c(c3)OCCO4)N=N2)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/h3-8,11,16-17,22H,2,9-10,12H2,1H3
InChIKeyDVUCHQWJHOPRNH-UHFFFAOYSA-N
MW387.46 g/mol
LogP3.86
Rot. Bonds5

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

N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide (PubChem CID 123515584) 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-3H-pyrazol-3-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide
PubChem CID123515584
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-3H-pyrazol-3-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(C2CC(c3ccc4c(c3)OCCO4)N=N2)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/h3-8,11,16-17,22H,2,9-10,12H2,1H3
InChIKeyDVUCHQWJHOPRNH-UHFFFAOYSA-N
XLogP3.86
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]ethanesulfonamide
CID 71060210
N-[4-[2-acetyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 71060306
N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
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-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)ethanesulfonamide
CID 110780565
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]ethanesulfonamide
CID 113050265
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-[4-[(2S)-butan-2-yl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 7940763

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide (CID 123515584) is N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-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-3H-pyrazol-3-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(C2CC(c3ccc4c(c3)OCCO4)N=N2)cc1.
What is the InChIKey of N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide?
The InChIKey is DVUCHQWJHOPRNH-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/h3-8,11,16-17,22H,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-3H-pyrazol-3-yl]phenyl]ethanesulfonamide?
N-[4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-dihydro-3H-pyrazol-3-yl]phenyl]ethanesulfonamide has a molecular weight of 387.46 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 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-3H-pyrazol-3-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 123515584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).