4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide

C26H33ClFN5O4S — CID 46913436

IUPAC4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(Cl)c1N1CCC(NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C26H33ClFN5O4S/c1-32-25(33-8-6-18(7-9-33)31-38(36,37)20-5-3-2-4-19(20)28)21(27)23(30-32)24(34)29-22-16-10-15-11-17(22)14-26(35,12-15)13-16/h2-5,15-18,22,31,35H,6-14H2,1H3,(H,29,34)
InChIKeyNVOBONNLNOUBSX-UHFFFAOYSA-N
MW566.10 g/mol
LogP2.83
Rot. Bonds6

About 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide

4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide (PubChem CID 46913436) has the molecular formula C26H33ClFN5O4S and a molecular weight of 566.10 g/mol. Its IUPAC name is 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
PubChem CID46913436
Molecular FormulaC26H33ClFN5O4S
Molecular Weight566.10 g/mol
Exact Mass565.19
IUPAC Name4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(Cl)c1N1CCC(NS(=O)(=O)c2ccccc2F)CC1
InChIInChI=1S/C26H33ClFN5O4S/c1-32-25(33-8-6-18(7-9-33)31-38(36,37)20-5-3-2-4-19(20)28)21(27)23(30-32)24(34)29-22-16-10-15-11-17(22)14-26(35,12-15)13-16/h2-5,15-18,22,31,35H,6-14H2,1H3,(H,29,34)
InChIKeyNVOBONNLNOUBSX-UHFFFAOYSA-N
XLogP2.83
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.10
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-5-(2,3-dihydroindol-1-yl)-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
CID 46896675
4-chloro-5-[4-[[[(4-fluorophenyl)methyl-methylcarbamoyl]amino]methyl]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide
CID 46913329
4-[[4-chloro-3-[(5-hydroxy-2-adamantyl)carbamoyl]-1-methylpyrazol-5-yl]-methylamino]-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 67043194
N-(5-carbamoyl-2-adamantyl)-4-chloro-5-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-methylpyrazole-3-carboxamide
CID 46897068
5-(2-fluorobenzoyl)-N-(5-hydroxy-2-adamantyl)pyridine-2-carboxamide
CID 66635643
N-(4-chlorocyclohexyl)-2-fluorobenzenesulfonamide
CID 65033519
4-fluoro-N-(5-hydroxy-2-adamantyl)-1-methyl-5-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyrazole-3-carboxamide
CID 67043244
(2R)-1-(3-chloro-2-methylphenyl)sulfonyl-N-(5-hydroxy-2-adamantyl)piperidine-2-carboxamide
CID 90643789
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542
4-chloro-5-[(4-chloro-2-pyridinyl)-methylamino]-1-ethyl-N-[(1S,3R)-5-hydroxy-2-adamantyl]pyrazole-3-carboxamide
CID 71763229
N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 54591981
N-(2-adamantyl)-2-fluorobenzenesulfonamide
CID 60652258

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide (CID 46913436) is 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NC2C3CC4CC2CC(O)(C4)C3)c(Cl)c1N1CCC(NS(=O)(=O)c2ccccc2F)CC1.
What is the InChIKey of 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is NVOBONNLNOUBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33ClFN5O4S/c1-32-25(33-8-6-18(7-9-33)31-38(36,37)20-5-3-2-4-19(20)28)21(27)23(30-32)24(34)29-22-16-10-15-11-17(22)14-26(35,12-15)13-16/h2-5,15-18,22,31,35H,6-14H2,1H3,(H,29,34).
What are the key properties of 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide?
4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 566.10 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[(2-fluorophenyl)sulfonylamino]piperidin-1-yl]-N-(5-hydroxy-2-adamantyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46913436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).