2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide

C24H23FN2O6S — CID 90629013

IUPAC2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1cc(OC2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)CC2)cc(=O)o1
InChIInChI=1S/C24H23FN2O6S/c1-16-14-20(15-23(28)32-16)33-19-10-12-27(13-11-19)24(29)17-6-8-18(9-7-17)26-34(30,31)22-5-3-2-4-21(22)25/h2-9,14-15,19,26H,10-13H2,1H3
InChIKeyCASXJUVRRCZDPG-UHFFFAOYSA-N
MW486.52 g/mol
LogP3.57
Rot. Bonds6

About 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide

2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 90629013) has the molecular formula C24H23FN2O6S and a molecular weight of 486.52 g/mol. Its IUPAC name is 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID90629013
Molecular FormulaC24H23FN2O6S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC Name2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide
SMILESCc1cc(OC2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)CC2)cc(=O)o1
InChIInChI=1S/C24H23FN2O6S/c1-16-14-20(15-23(28)32-16)33-19-10-12-27(13-11-19)24(29)17-6-8-18(9-7-17)26-34(30,31)22-5-3-2-4-21(22)25/h2-9,14-15,19,26H,10-13H2,1H3
InChIKeyCASXJUVRRCZDPG-UHFFFAOYSA-N
XLogP3.57
TPSA105.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide with MolForge

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Related Compounds

N-[4-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidine-1-carbonyl]phenyl]-2-fluorobenzenesulfonamide
CID 121155892
2-fluoro-N-[4-(4-quinolin-8-yloxypiperidine-1-carbonyl)phenyl]benzenesulfonamide
CID 121157276
4-[1-(4-butoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628996
4-[1-[4-(3-methoxyphenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629010
4-[1-[4-(3,4-dichlorophenyl)benzoyl]piperidin-4-yl]oxy-6-methylpyran-2-one
CID 121155785
4-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628984
4-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90628963
4-[1-(2H-benzotriazole-5-carbonyl)piperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629098
3-chloro-4-fluoro-N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90629021
2-fluoro-N-[4-(3-methoxy-8-azabicyclo[3.2.1]octane-8-carbonyl)phenyl]benzenesulfonamide
CID 122255293
6-methyl-4-[1-(2-methylsulfanylpyridine-3-carbonyl)piperidin-4-yl]oxypyran-2-one
CID 90628971
2,6-dichloro-N-[3-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90629015

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide (CID 90629013) is 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide is Cc1cc(OC2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4F)cc3)CC2)cc(=O)o1.
What is the InChIKey of 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is CASXJUVRRCZDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O6S/c1-16-14-20(15-23(28)32-16)33-19-10-12-27(13-11-19)24(29)17-6-8-18(9-7-17)26-34(30,31)22-5-3-2-4-21(22)25/h2-9,14-15,19,26H,10-13H2,1H3.
What are the key properties of 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide?
2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 486.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 90629013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).