4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide

C23H31FN2O4S — CID 134131984

IUPAC4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
SMILESCC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H31FN2O4S/c1-18(2)30-23-6-4-3-5-22(23)29-16-15-26-13-11-19(12-14-26)17-25-31(27,28)21-9-7-20(24)8-10-21/h3-10,18-19,25H,11-17H2,1-2H3
InChIKeyHUXFPTBPWANEKQ-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.68
Rot. Bonds10

About 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide

4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide (PubChem CID 134131984) has the molecular formula C23H31FN2O4S and a molecular weight of 450.58 g/mol. Its IUPAC name is 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
PubChem CID134131984
Molecular FormulaC23H31FN2O4S
Molecular Weight450.58 g/mol
Exact Mass450.20
IUPAC Name4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide
SMILESCC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H31FN2O4S/c1-18(2)30-23-6-4-3-5-22(23)29-16-15-26-13-11-19(12-14-26)17-25-31(27,28)21-9-7-20(24)8-10-21/h3-10,18-19,25H,11-17H2,1-2H3
InChIKeyHUXFPTBPWANEKQ-UHFFFAOYSA-N
XLogP3.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 110736321
1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperazine
CID 762602
5-chloro-2-fluoro-N-[(3S)-1-[2-(2-propan-2-yloxyphenoxy)ethyl]pyrrolidin-3-yl]benzenesulfonamide
CID 134138730
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-propylbenzenesulfonamide
CID 16887611
4-phenyl-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887580
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
4-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 37219437
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698
3,4-dimethoxy-N-[1-[2-(2-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 134148037

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide (CID 134131984) is 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide is CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is HUXFPTBPWANEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN2O4S/c1-18(2)30-23-6-4-3-5-22(23)29-16-15-26-13-11-19(12-14-26)17-25-31(27,28)21-9-7-20(24)8-10-21/h3-10,18-19,25H,11-17H2,1-2H3.
What are the key properties of 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide?
4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 450.58 g/mol, XLogP of 3.68, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-[2-(2-propan-2-yloxyphenoxy)ethyl]piperidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 134131984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).