N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

C25H27ClFN3O2S — CID 24731464

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccnc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H27ClFN3O2S/c26-22-9-7-20(8-10-22)11-15-29-16-12-23(13-17-29)30(19-21-4-3-14-28-18-21)33(31,32)25-6-2-1-5-24(25)27/h1-10,14,18,23H,11-13,15-17,19H2
InChIKeyYAWVDHVNTYXXIH-UHFFFAOYSA-N
MW488.03 g/mol
LogP4.77
Rot. Bonds8

About N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 24731464) has the molecular formula C25H27ClFN3O2S and a molecular weight of 488.03 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID24731464
Molecular FormulaC25H27ClFN3O2S
Molecular Weight488.03 g/mol
Exact Mass487.15
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(Cc1cccnc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C25H27ClFN3O2S/c26-22-9-7-20(8-10-22)11-15-29-16-12-23(13-17-29)30(19-21-4-3-14-28-18-21)33(31,32)25-6-2-1-5-24(25)27/h1-10,14,18,23H,11-13,15-17,19H2
InChIKeyYAWVDHVNTYXXIH-UHFFFAOYSA-N
XLogP4.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.03
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 24731464) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(Cc1cccnc1)C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is YAWVDHVNTYXXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClFN3O2S/c26-22-9-7-20(8-10-22)11-15-29-16-12-23(13-17-29)30(19-21-4-3-14-28-18-21)33(31,32)25-6-2-1-5-24(25)27/h1-10,14,18,23H,11-13,15-17,19H2.
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 488.03 g/mol, XLogP of 4.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 24731464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).