N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide

C27H30ClFN2O2S — CID 24731456

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(CCc1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30ClFN2O2S/c28-24-12-10-23(11-13-24)14-18-30-19-16-25(17-20-30)31(21-15-22-6-2-1-3-7-22)34(32,33)27-9-5-4-8-26(27)29/h1-13,25H,14-21H2
InChIKeyYFOJYKGQMTUVLX-UHFFFAOYSA-N
MW501.07 g/mol
LogP5.42
Rot. Bonds9

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

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 24731456) has the molecular formula C27H30ClFN2O2S and a molecular weight of 501.07 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
PubChem CID24731456
Molecular FormulaC27H30ClFN2O2S
Molecular Weight501.07 g/mol
Exact Mass500.17
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1F)N(CCc1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H30ClFN2O2S/c28-24-12-10-23(11-13-24)14-18-30-19-16-25(17-20-30)31(21-15-22-6-2-1-3-7-22)34(32,33)27-9-5-4-8-26(27)29/h1-13,25H,14-21H2
InChIKeyYFOJYKGQMTUVLX-UHFFFAOYSA-N
XLogP5.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.07
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 24731464
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(furan-2-ylmethyl)quinoline-8-sulfonamide
CID 24730700
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-3-methoxy-N-(2-methoxyethyl)benzenesulfonamide
CID 24730709
N-[(4-chlorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851901
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 24730690
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(2-phenylethyl)pyridine-3-carboxamide
CID 24731148
N-cyclopropyl-2-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 61045049
N-[2-(4-chlorophenyl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 30983457
4-(2-chlorophenyl)sulfonyl-1-[2-(4-fluorophenyl)ethyl]piperidine;hydrochloride
CID 141037067
2-[cyclopropyl-(2-fluorophenyl)sulfonylamino]acetic acid
CID 54945752
N-(1-methylpiperidin-4-yl)-N-(2-phenylethyl)ethanesulfonamide
CID 56915066
3-[cyclopropyl-(2-fluorophenyl)sulfonylamino]-N'-hydroxypropanimidamide
CID 76911739

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide (CID 24731456) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide is O=S(=O)(c1ccccc1F)N(CCc1ccccc1)C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is YFOJYKGQMTUVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN2O2S/c28-24-12-10-23(11-13-24)14-18-30-19-16-25(17-20-30)31(21-15-22-6-2-1-3-7-22)34(32,33)27-9-5-4-8-26(27)29/h1-13,25H,14-21H2.
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 501.07 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-2-fluoro-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 24731456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).