N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide

C25H29FN2O3S — CID 137477729

IUPACN-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide
SMILESCC(C)C(NS(=O)(=O)C1CCCCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C25H29FN2O3S/c1-16(2)24(28-32(30,31)19-8-4-3-5-9-19)20-13-14-23(27-25(20)29)18-12-11-17-7-6-10-22(26)21(17)15-18/h6-7,10-16,19,24,28H,3-5,8-9H2,1-2H3,(H,27,29)
InChIKeyVUKOOZXKILDBSO-UHFFFAOYSA-N
MW456.58 g/mol
LogP5.28
Rot. Bonds6

About N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide

N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide (PubChem CID 137477729) has the molecular formula C25H29FN2O3S and a molecular weight of 456.58 g/mol. Its IUPAC name is N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide
PubChem CID137477729
Molecular FormulaC25H29FN2O3S
Molecular Weight456.58 g/mol
Exact Mass456.19
IUPAC NameN-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide
SMILESCC(C)C(NS(=O)(=O)C1CCCCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O
InChIInChI=1S/C25H29FN2O3S/c1-16(2)24(28-32(30,31)19-8-4-3-5-9-19)20-13-14-23(27-25(20)29)18-12-11-17-7-6-10-22(26)21(17)15-18/h6-7,10-16,19,24,28H,3-5,8-9H2,1-2H3,(H,27,29)
InChIKeyVUKOOZXKILDBSO-UHFFFAOYSA-N
XLogP5.28
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.58
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide?
The IUPAC name of N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide (CID 137477729) is N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide?
The canonical SMILES for N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide is CC(C)C(NS(=O)(=O)C1CCCCC1)c1ccc(-c2ccc3cccc(F)c3c2)[nH]c1=O.
What is the InChIKey of N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide?
The InChIKey is VUKOOZXKILDBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3S/c1-16(2)24(28-32(30,31)19-8-4-3-5-9-19)20-13-14-23(27-25(20)29)18-12-11-17-7-6-10-22(26)21(17)15-18/h6-7,10-16,19,24,28H,3-5,8-9H2,1-2H3,(H,27,29).
What are the key properties of N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide?
N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide has a molecular weight of 456.58 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(8-fluoronaphthalen-2-yl)-2-oxo-1H-pyridin-3-yl]-2-methylpropyl]cyclohexanesulfonamide is sourced from PubChem (CID 137477729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).