N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide

C24H28ClF3N2O2S — CID 24730690

IUPACN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N(CC1CC1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClF3N2O2S/c25-21-7-3-18(4-8-21)11-14-29-15-12-22(13-16-29)30(17-19-1-2-19)33(31,32)23-9-5-20(6-10-23)24(26,27)28/h3-10,19,22H,1-2,11-17H2
InChIKeyYQZHRKRWWLOHBK-UHFFFAOYSA-N
MW501.01 g/mol
LogP5.47
Rot. Bonds8

About N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide

N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 24730690) has the molecular formula C24H28ClF3N2O2S and a molecular weight of 501.01 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID24730690
Molecular FormulaC24H28ClF3N2O2S
Molecular Weight501.01 g/mol
Exact Mass500.15
IUPAC NameN-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N(CC1CC1)C1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClF3N2O2S/c25-21-7-3-18(4-8-21)11-14-29-15-12-22(13-16-29)30(17-19-1-2-19)33(31,32)23-9-5-20(6-10-23)24(26,27)28/h3-10,19,22H,1-2,11-17H2
InChIKeyYQZHRKRWWLOHBK-UHFFFAOYSA-N
XLogP5.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.01
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)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

1'-((4'-Chloro-[1,1'-biphenyl]-4-yl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308419
1-[1-[3-(4-Chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627957
1-[1-[2-(4-Chlorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 141659836
4-(2,4-Difluorophenethyl)-1-(2-chlorophenylsulfonyl)piperidine
CID 44411930
1-(4-Chlorobenzyl)-4-[(4-methylphenyl)sulfonyl]piperazine
CID 1148148
1-(2-Chlorophenyl)sulfonyl-4-[2-(2,4-difluorophenyl)ethyl]piperazine
CID 10157846
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-4-(trifluoromethyl)benzenesulfonamide
CID 2810686
1-({4'-Chloro-[1,1'-biphenyl]-4-yl}sulfonyl)piperidine
CID 890475
4-(4-Chlorophenyl)-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 164684729
2-(4-Chlorophenyl)-4-phenyl-1-((4-(trifluoromethyl)phenyl)sulfonyl)pyrrolidine
CID 168334686
4-[(4-Chlorophenyl)methyl]-4-fluoro-1-(4-methylphenyl)sulfonylpiperidine
CID 177855314
(2S)-1-[4-(4-chlorophenyl)phenyl]sulfonyl-2-methylpiperidine
CID 852194

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 24730690) is N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccc(C(F)(F)F)cc1)N(CC1CC1)C1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YQZHRKRWWLOHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N2O2S/c25-21-7-3-18(4-8-21)11-14-29-15-12-22(13-16-29)30(17-19-1-2-19)33(31,32)23-9-5-20(6-10-23)24(26,27)28/h3-10,19,22H,1-2,11-17H2.
What are the key properties of N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 501.01 g/mol, XLogP of 5.47, 8 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]-N-(cyclopropylmethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24730690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).