2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C24H23F2N3O6S2 — CID 3320895

IUPAC2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C24H23F2N3O6S2/c25-19-10-8-16(14-20(19)26)36(32,33)28-21-7-3-2-6-18(21)24(31)27-22-15-17(9-11-23(22)30)37(34,35)29-12-4-1-5-13-29/h2-3,6-11,14-15,28,30H,1,4-5,12-13H2,(H,27,31)
InChIKeyKTYDASGRMVDRBQ-UHFFFAOYSA-N
MW551.59 g/mol
LogP3.90
Rot. Bonds7

About 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide

2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3320895) has the molecular formula C24H23F2N3O6S2 and a molecular weight of 551.59 g/mol. Its IUPAC name is 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID3320895
Molecular FormulaC24H23F2N3O6S2
Molecular Weight551.59 g/mol
Exact Mass551.10
IUPAC Name2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C24H23F2N3O6S2/c25-19-10-8-16(14-20(19)26)36(32,33)28-21-7-3-2-6-18(21)24(31)27-22-15-17(9-11-23(22)30)37(34,35)29-12-4-1-5-13-29/h2-3,6-11,14-15,28,30H,1,4-5,12-13H2,(H,27,31)
InChIKeyKTYDASGRMVDRBQ-UHFFFAOYSA-N
XLogP3.90
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.59
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 3320895) is 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is KTYDASGRMVDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O6S2/c25-19-10-8-16(14-20(19)26)36(32,33)28-21-7-3-2-6-18(21)24(31)27-22-15-17(9-11-23(22)30)37(34,35)29-12-4-1-5-13-29/h2-3,6-11,14-15,28,30H,1,4-5,12-13H2,(H,27,31).
What are the key properties of 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 551.59 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3320895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).