N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide

C24H22Cl3FN2O2S — CID 143508369

IUPACN-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C24H22Cl3FN2O2S/c25-16-7-10-19(11-8-16)30-20(15-29-33(31,32)21-5-1-3-18(28)14-21)4-2-6-24(30)22-12-9-17(26)13-23(22)27/h1,3,5,7-14,20,24,29H,2,4,6,15H2
InChIKeyYIKKLXDXINIAAO-UHFFFAOYSA-N
MW527.88 g/mol
LogP6.86
Rot. Bonds6

About N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide

N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide (PubChem CID 143508369) has the molecular formula C24H22Cl3FN2O2S and a molecular weight of 527.88 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide
PubChem CID143508369
Molecular FormulaC24H22Cl3FN2O2S
Molecular Weight527.88 g/mol
Exact Mass526.05
IUPAC NameN-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C24H22Cl3FN2O2S/c25-16-7-10-19(11-8-16)30-20(15-29-33(31,32)21-5-1-3-18(28)14-21)4-2-6-24(30)22-12-9-17(26)13-23(22)27/h1,3,5,7-14,20,24,29H,2,4,6,15H2
InChIKeyYIKKLXDXINIAAO-UHFFFAOYSA-N
XLogP6.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.88
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorocyclohexyl)methyl]-3-fluorobenzenesulfonamide
CID 114148380
3-chloro-N-(cyclopentylmethyl)benzenesulfonamide
CID 43066015
N-[(1-cyclopentylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887715
N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
3-chloro-N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]benzenesulfonamide
CID 16919694
3-chloro-N-[(2,5-difluorophenyl)methyl]benzenesulfonamide
CID 110781006
N-[(3-chlorocyclopentyl)methyl]-3-fluorobenzenesulfonamide
CID 106135235
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
3-fluoro-N-[(6-methylpiperidin-2-yl)methyl]benzenesulfonamide
CID 55056998
N-[(3-chloro-2,6-difluorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 5179910
N-[(3,5-dichlorophenyl)methyl]-3-fluorobenzenesulfonamide
CID 3858076
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide (CID 143508369) is N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide is O=S(=O)(NCC1CCCC(c2ccc(Cl)cc2Cl)N1c1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide?
The InChIKey is YIKKLXDXINIAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl3FN2O2S/c25-16-7-10-19(11-8-16)30-20(15-29-33(31,32)21-5-1-3-18(28)14-21)4-2-6-24(30)22-12-9-17(26)13-23(22)27/h1,3,5,7-14,20,24,29H,2,4,6,15H2.
What are the key properties of N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide?
N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide has a molecular weight of 527.88 g/mol, XLogP of 6.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-2-yl]methyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 143508369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).