N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide

C20H23FN2O4S — CID 53280909

IUPACN-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-19-10-9-17(13-18(19)20(24)23-11-3-2-4-12-23)28(25,26)22-14-15-5-7-16(21)8-6-15/h5-10,13,22H,2-4,11-12,14H2,1H3
InChIKeyZUZZNUCTMXQTRO-UHFFFAOYSA-N
MW406.48 g/mol
LogP2.94
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide

N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide (PubChem CID 53280909) has the molecular formula C20H23FN2O4S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
PubChem CID53280909
Molecular FormulaC20H23FN2O4S
Molecular Weight406.48 g/mol
Exact Mass406.14
IUPAC NameN-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCCCC1
InChIInChI=1S/C20H23FN2O4S/c1-27-19-10-9-17(13-18(19)20(24)23-11-3-2-4-12-23)28(25,26)22-14-15-5-7-16(21)8-6-15/h5-10,13,22H,2-4,11-12,14H2,1H3
InChIKeyZUZZNUCTMXQTRO-UHFFFAOYSA-N
XLogP2.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 46763335
N-butyl-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 53280836
N-[(3,4-dimethoxyphenyl)methyl]-4-methoxy-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 99957286
3-fluoro-N-[(4-fluorophenyl)methyl]-4-methoxybenzenesulfonamide
CID 37478597
3-(azepane-1-carbonyl)-N-[(1S)-1-(4-ethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 100735815
4-methylsulfanyl-3-(piperidine-1-carbonyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 46767874
3-(azepane-1-carbonyl)-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 100768633
4-methoxy-N-[(2S)-1-methoxypropan-2-yl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 40769366
4-methoxy-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-3-(pyrrolidine-1-carbonyl)benzenesulfonamide
CID 46771117
(5-fluoro-2-methoxyphenyl)-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 31117130
N-(5-chloro-2-methoxyphenyl)-2-fluoro-5-[(4-fluorophenyl)methylsulfamoyl]benzamide
CID 4079781
3-(azepane-1-carbonyl)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methoxybenzenesulfonamide
CID 100577143

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide (CID 53280909) is N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C(=O)N1CCCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
The InChIKey is ZUZZNUCTMXQTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S/c1-27-19-10-9-17(13-18(19)20(24)23-11-3-2-4-12-23)28(25,26)22-14-15-5-7-16(21)8-6-15/h5-10,13,22H,2-4,11-12,14H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide?
N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide has a molecular weight of 406.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-methoxy-3-(piperidine-1-carbonyl)benzenesulfonamide is sourced from PubChem (CID 53280909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).