N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide

C23H23FN2O5S — CID 41470195

IUPACN-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H23FN2O5S/c24-17-6-8-19(9-7-17)30-16-20-10-11-22(31-20)23(27)26-14-12-18(13-15-26)25-32(28,29)21-4-2-1-3-5-21/h1-11,18,25H,12-16H2
InChIKeyWWJQXBDRGMJHKX-UHFFFAOYSA-N
MW458.51 g/mol
LogP3.58
Rot. Bonds7

About N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide

N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 41470195) has the molecular formula C23H23FN2O5S and a molecular weight of 458.51 g/mol. Its IUPAC name is N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
PubChem CID41470195
Molecular FormulaC23H23FN2O5S
Molecular Weight458.51 g/mol
Exact Mass458.13
IUPAC NameN-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C23H23FN2O5S/c24-17-6-8-19(9-7-17)30-16-20-10-11-22(31-20)23(27)26-14-12-18(13-15-26)25-32(28,29)21-4-2-1-3-5-21/h1-11,18,25H,12-16H2
InChIKeyWWJQXBDRGMJHKX-UHFFFAOYSA-N
XLogP3.58
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-[(4-fluorophenyl)methoxy]benzoyl]piperidin-4-yl]benzenesulfonamide
CID 30797122
1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidine-4-carboxamide
CID 51159283
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[5-(phenoxymethyl)furan-2-yl]methanone
CID 31667574
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 27799823
N-(4-fluorophenyl)-2-[4-[5-(phenoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetamide
CID 17439081
[(3S)-3-aminopiperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124628175
[5-[(4-fluorophenoxy)methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 27665248
[4-(benzenesulfonyl)piperazin-1-yl]-[5-[(4-tert-butylphenoxy)methyl]furan-2-yl]methanone
CID 19585294
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 46476770
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 120742767
[3-(1-aminoethyl)piperidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 119592675
N'-benzoyl-5-[(4-fluorophenoxy)methyl]furan-2-carbohydrazide
CID 27555711

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide (CID 41470195) is N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide is O=C(c1ccc(COc2ccc(F)cc2)o1)N1CCC(NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is WWJQXBDRGMJHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O5S/c24-17-6-8-19(9-7-17)30-16-20-10-11-22(31-20)23(27)26-14-12-18(13-15-26)25-32(28,29)21-4-2-1-3-5-21/h1-11,18,25H,12-16H2.
What are the key properties of N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 458.51 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 41470195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).