4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide

C23H22IN3O4S — CID 70953951

IUPAC4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C23H22IN3O4S/c24-21-9-6-17(15-20(21)22-3-1-2-12-25-22)26-23(29)16-4-7-19(8-5-16)32(30,31)27-13-10-18(28)11-14-27/h1-9,12,15,18,28H,10-11,13-14H2,(H,26,29)
InChIKeyXSGQUIOWMFOOGZ-UHFFFAOYSA-N
MW563.42 g/mol
LogP3.75
Rot. Bonds5

About 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide

4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide (PubChem CID 70953951) has the molecular formula C23H22IN3O4S and a molecular weight of 563.42 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
PubChem CID70953951
Molecular FormulaC23H22IN3O4S
Molecular Weight563.42 g/mol
Exact Mass563.04
IUPAC Name4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
SMILESO=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1
InChIInChI=1S/C23H22IN3O4S/c24-21-9-6-17(15-20(21)22-3-1-2-12-25-22)26-23(29)16-4-7-19(8-5-16)32(30,31)27-13-10-18(28)11-14-27/h1-9,12,15,18,28H,10-11,13-14H2,(H,26,29)
InChIKeyXSGQUIOWMFOOGZ-UHFFFAOYSA-N
XLogP3.75
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.42
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(N'-hydroxycarbamimidoyl)-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide
CID 173382990
N-(4-iodo-3-pyridin-2-ylphenyl)-6-pyrazol-1-ylpyridine-3-carboxamide
CID 70953926
N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 155169604
2-chloro-N-(4-iodo-3-pyridin-2-ylphenyl)-4-(piperazine-1-carbonyl)benzamide
CID 70797621
4-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]benzoic acid
CID 66877887
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]pyridine-2-carboxamide
CID 26187503
N-(4-iodo-3-pyridin-2-ylphenyl)-6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-3-carboxamide
CID 67475642
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
N-(4-chloro-3-pyridin-2-ylphenyl)-4-(2-methoxyethylsulfonyl)benzamide
CID 58614690
3-iodo-4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 163888268
4-pyrrolidin-1-ylsulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26252425
N-naphthalen-2-yl-4-piperidin-1-ylsulfonylbenzamide
CID 4081261

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide (CID 70953951) is 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide is O=C(Nc1ccc(I)c(-c2ccccn2)c1)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
The InChIKey is XSGQUIOWMFOOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22IN3O4S/c24-21-9-6-17(15-20(21)22-3-1-2-12-25-22)26-23(29)16-4-7-19(8-5-16)32(30,31)27-13-10-18(28)11-14-27/h1-9,12,15,18,28H,10-11,13-14H2,(H,26,29).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide?
4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide has a molecular weight of 563.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)sulfonyl-N-(4-iodo-3-pyridin-2-ylphenyl)benzamide is sourced from PubChem (CID 70953951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).