N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C22H23N3O4S2 — CID 6489771

IUPACN-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCN(c2nc(-c3ccccc3)cs2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23N3O4S2/c26-31(27,18-6-7-20-21(14-18)29-13-12-28-20)24-17-8-10-25(11-9-17)22-23-19(15-30-22)16-4-2-1-3-5-16/h1-7,14-15,17,24H,8-13H2
InChIKeyQYUVLJIXOIVRTF-UHFFFAOYSA-N
MW457.58 g/mol
LogP3.53
Rot. Bonds5

About N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 6489771) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID6489771
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NC1CCN(c2nc(-c3ccccc3)cs2)CC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C22H23N3O4S2/c26-31(27,18-6-7-20-21(14-18)29-13-12-28-20)24-17-8-10-25(11-9-17)22-23-19(15-30-22)16-4-2-1-3-5-16/h1-7,14-15,17,24H,8-13H2
InChIKeyQYUVLJIXOIVRTF-UHFFFAOYSA-N
XLogP3.53
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide with MolForge

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Related Compounds

N-(1-cyclopropylpiperidin-4-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17455064
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 133278132
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
N-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243774
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole
CID 8008780
N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110318257
2-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)piperidin-1-yl]-N-phenylacetamide
CID 24620947
4-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)-1,3-thiazole
CID 60528777
2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 47085916
3-(2-amino-1,3-thiazol-4-yl)-N-cyclopropylbenzenesulfonamide
CID 39404850
2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 6489770
N-[1-(2,6-difluorophenyl)sulfonylpyrrolidin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 25243785

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 6489771) is N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NC1CCN(c2nc(-c3ccccc3)cs2)CC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is QYUVLJIXOIVRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c26-31(27,18-6-7-20-21(14-18)29-13-12-28-20)24-17-8-10-25(11-9-17)22-23-19(15-30-22)16-4-2-1-3-5-16/h1-7,14-15,17,24H,8-13H2.
What are the key properties of N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 457.58 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 6489771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).