2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide

C24H24FN3O6S2 — CID 3654822

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O6S2/c25-17-8-10-18(11-9-17)35(31,32)27-21-7-3-2-6-20(21)24(30)26-22-16-19(12-13-23(22)29)36(33,34)28-14-4-1-5-15-28/h2-3,6-13,16,27,29H,1,4-5,14-15H2,(H,26,30)
InChIKeyAZPWNADOCZIEAW-UHFFFAOYSA-N
MW533.60 g/mol
LogP3.76
Rot. Bonds7

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

2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3654822) has the molecular formula C24H24FN3O6S2 and a molecular weight of 533.60 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID3654822
Molecular FormulaC24H24FN3O6S2
Molecular Weight533.60 g/mol
Exact Mass533.11
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
SMILESO=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O6S2/c25-17-8-10-18(11-9-17)35(31,32)27-21-7-3-2-6-20(21)24(30)26-22-16-19(12-13-23(22)29)36(33,34)28-14-4-1-5-15-28/h2-3,6-13,16,27,29H,1,4-5,14-15H2,(H,26,30)
InChIKeyAZPWNADOCZIEAW-UHFFFAOYSA-N
XLogP3.76
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.60
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
N-[5-[(2-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 4129647
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 3320895
4-(1-azepanylsulfonyl)-N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 4659956
BMP activator B06
CID 24980360
[3-[4-(4-Fluorophenyl)piperazin-1-yl]sulfonylphenyl]-[4-(2-hydroxyphenyl)piperazin-1-yl]methanone
CID 25163894
N-[5-[(4-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-difluorobenzamide
CID 3666144
4-(azepan-1-ylsulfonyl)-N-(5-ethylsulfonyl-2-hydroxyphenyl)benzamide
CID 4843950
N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)-4-piperidin-1-ylsulfonylbenzamide
CID 5236593
N-(2-hydroxyphenyl)-3-{[(2-hydroxyphenyl)amino]sulfonyl}benzamide
CID 1099210
N-(2-hydroxy-5-methylphenyl)-3-(1-piperidinylsulfonyl)benzamide
CID 1262336

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide (CID 3654822) is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide is O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is AZPWNADOCZIEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6S2/c25-17-8-10-18(11-9-17)35(31,32)27-21-7-3-2-6-20(21)24(30)26-22-16-19(12-13-23(22)29)36(33,34)28-14-4-1-5-15-28/h2-3,6-13,16,27,29H,1,4-5,14-15H2,(H,26,30).
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide?
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 533.60 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3654822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).