N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C24H24N4O5S — CID 55349862

IUPACN-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O5S/c29-24(28-12-10-27(11-13-28)23-6-1-2-9-25-23)18-4-3-5-19(16-18)26-34(30,31)20-7-8-21-22(17-20)33-15-14-32-21/h1-9,16-17,26H,10-15H2
InChIKeyIRQOLSMNMQOXEC-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.62
Rot. Bonds5

About N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 55349862) has the molecular formula C24H24N4O5S and a molecular weight of 480.55 g/mol. Its IUPAC name is N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID55349862
Molecular FormulaC24H24N4O5S
Molecular Weight480.55 g/mol
Exact Mass480.15
IUPAC NameN-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C24H24N4O5S/c29-24(28-12-10-27(11-13-28)23-6-1-2-9-25-23)18-4-3-5-19(16-18)26-34(30,31)20-7-8-21-22(17-20)33-15-14-32-21/h1-9,16-17,26H,10-15H2
InChIKeyIRQOLSMNMQOXEC-UHFFFAOYSA-N
XLogP2.62
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255857
N-(4-ethoxyphenyl)-3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 27255853
N-pyridin-4-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 55616731
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(2-pyridin-2-ylethyl)benzamide
CID 24540654
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
N-[3-(2-benzylpyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 24688228
N-[3-[4-(3-cyano-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55455438
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-methyl-2-pyridinyl)benzamide
CID 35033379
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
N-(3-pyrrolidin-1-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110361647

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 55349862) is N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=C(c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is IRQOLSMNMQOXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O5S/c29-24(28-12-10-27(11-13-28)23-6-1-2-9-25-23)18-4-3-5-19(16-18)26-34(30,31)20-7-8-21-22(17-20)33-15-14-32-21/h1-9,16-17,26H,10-15H2.
What are the key properties of N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 480.55 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 55349862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).