2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

C24H25N5O5S — CID 55854355

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H25N5O5S/c30-23(27-17-5-3-12-29(16-17)24-25-10-4-11-26-24)19-6-1-2-7-20(19)28-35(31,32)18-8-9-21-22(15-18)34-14-13-33-21/h1-2,4,6-11,15,17,28H,3,5,12-14,16H2,(H,27,30)
InChIKeySKDWKJAPDKSPQT-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.45
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (PubChem CID 55854355) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
PubChem CID55854355
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
SMILESO=C(NC1CCCN(c2ncccn2)C1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C24H25N5O5S/c30-23(27-17-5-3-12-29(16-17)24-25-10-4-11-26-24)19-6-1-2-7-20(19)28-35(31,32)18-8-9-21-22(15-18)34-14-13-33-21/h1-2,4,6-11,15,17,28H,3,5,12-14,16H2,(H,27,30)
InChIKeySKDWKJAPDKSPQT-UHFFFAOYSA-N
XLogP2.45
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 55548577
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]benzamide
CID 55626752
2-anilino-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 71939760
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858580
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1076433
N-tert-butyl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 17200397
N-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55543134
N-butan-2-yl-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzamide
CID 2948118
6-morpholin-4-ylsulfonyl-2-oxo-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1H-quinoline-4-carboxamide
CID 55803029
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate
CID 41408334
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 6492763
2-benzyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55804031

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide (CID 55854355) is 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is O=C(NC1CCCN(c2ncccn2)C1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
The InChIKey is SKDWKJAPDKSPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c30-23(27-17-5-3-12-29(16-17)24-25-10-4-11-26-24)19-6-1-2-7-20(19)28-35(31,32)18-8-9-21-22(15-18)34-14-13-33-21/h1-2,4,6-11,15,17,28H,3,5,12-14,16H2,(H,27,30).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide?
2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide has a molecular weight of 495.56 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide is sourced from PubChem (CID 55854355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).