5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide

C22H29FN2O4S — CID 25037618

IUPAC5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C22H29FN2O4S/c1-17-4-7-20(23)13-22(17)30(27,28)24-14-19-3-2-10-25(16-19)15-18-5-8-21(9-6-18)29-12-11-26/h4-9,13,19,24,26H,2-3,10-12,14-16H2,1H3/t19-/m0/s1
InChIKeyFBZCEJVZKLHNQG-IBGZPJMESA-N
MW436.55 g/mol
LogP2.70
Rot. Bonds9

About 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide

5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide (PubChem CID 25037618) has the molecular formula C22H29FN2O4S and a molecular weight of 436.55 g/mol. Its IUPAC name is 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
PubChem CID25037618
Molecular FormulaC22H29FN2O4S
Molecular Weight436.55 g/mol
Exact Mass436.18
IUPAC Name5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C22H29FN2O4S/c1-17-4-7-20(23)13-22(17)30(27,28)24-14-19-3-2-10-25(16-19)15-18-5-8-21(9-6-18)29-12-11-26/h4-9,13,19,24,26H,2-3,10-12,14-16H2,1H3/t19-/m0/s1
InChIKeyFBZCEJVZKLHNQG-IBGZPJMESA-N
XLogP2.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.55
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide with MolForge

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Related Compounds

N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
CID 25044705
2,5-dichloro-N-[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]benzenesulfonamide
CID 25045018
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
CID 16887771
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95867281
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028
(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25283002
5-fluoro-N-[(2-hydroxycyclohexyl)methyl]-2-methylbenzenesulfonamide
CID 64913291
2-[4-[[3-(methylaminomethyl)piperidin-1-yl]methyl]phenoxy]acetamide
CID 61206346
N-[[(3R)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]piperidin-3-yl]methyl]methanesulfonamide
CID 95221553
1-[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]-N-methylmethanamine
CID 113499435
3-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42456464
[1-[(5-fluoro-2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 115970131

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide (CID 25037618) is 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC[C@@H]1CCCN(Cc2ccc(OCCO)cc2)C1.
What is the InChIKey of 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide?
The InChIKey is FBZCEJVZKLHNQG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29FN2O4S/c1-17-4-7-20(23)13-22(17)30(27,28)24-14-19-3-2-10-25(16-19)15-18-5-8-21(9-6-18)29-12-11-26/h4-9,13,19,24,26H,2-3,10-12,14-16H2,1H3/t19-/m0/s1.
What are the key properties of 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide?
5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide has a molecular weight of 436.55 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 25037618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).