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

C24H25ClFN3O6S2 — CID 15945362

IUPAC2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O6S2.ClH/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);1H
InChIKeyMUTVDBWBBMANIU-UHFFFAOYSA-N
MW570.06 g/mol
LogP4.18
Rot. Bonds7

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

2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride (PubChem CID 15945362) has the molecular formula C24H25ClFN3O6S2 and a molecular weight of 570.06 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
PubChem CID15945362
Molecular FormulaC24H25ClFN3O6S2
Molecular Weight570.06 g/mol
Exact Mass569.09
IUPAC Name2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride
SMILESCl.O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C24H24FN3O6S2.ClH/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);1H
InChIKeyMUTVDBWBBMANIU-UHFFFAOYSA-N
XLogP4.18
TPSA132.88 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.06
LogP ≤ 54.18
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

2-[(4-fluorophenyl)sulfonylamino]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 2337095
2-bromo-4-fluoro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 29265094
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
2,3-dichloro-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 18108806
N-[5-(azepan-1-ylsulfonyl)-2-chlorophenyl]-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 4190352
3-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24540288
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 4149482
2-fluoro-N-(2-fluoro-4-piperidin-1-ylsulfonylphenyl)benzamide
CID 18893328
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzamide
CID 7695778
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
2-fluoro-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]benzamide
CID 39948261
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 27672665

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride (CID 15945362) is 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is MUTVDBWBBMANIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O6S2.ClH/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);1H.
What are the key properties of 2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride?
2-[(4-fluorophenyl)sulfonylamino]-N-(2-hydroxy-5-piperidin-1-ylsulfonylphenyl)benzamide;hydrochloride has a molecular weight of 570.06 g/mol, XLogP of 4.18, 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;hydrochloride is sourced from PubChem (CID 15945362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).