N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide

C24H24Cl3N3O2S — CID 58956934

IUPACN-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccnc1
InChIInChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2
InChIKeyIUAHPWBBEWAHNB-UHFFFAOYSA-N
MW524.90 g/mol
LogP6.37
Rot. Bonds7

About N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide

N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide (PubChem CID 58956934) has the molecular formula C24H24Cl3N3O2S and a molecular weight of 524.90 g/mol. Its IUPAC name is N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide
PubChem CID58956934
Molecular FormulaC24H24Cl3N3O2S
Molecular Weight524.90 g/mol
Exact Mass523.07
IUPAC NameN-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NCCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccnc1
InChIInChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2
InChIKeyIUAHPWBBEWAHNB-UHFFFAOYSA-N
XLogP6.37
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.90
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide (CID 58956934) is N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide is O=S(=O)(NCCC1CCC(c2ccc(Cl)cc2Cl)N(c2ccc(Cl)cc2)C1)c1cccnc1.
What is the InChIKey of N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide?
The InChIKey is IUAHPWBBEWAHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3N3O2S/c25-18-4-7-20(8-5-18)30-16-17(3-10-24(30)22-9-6-19(26)14-23(22)27)11-13-29-33(31,32)21-2-1-12-28-15-21/h1-2,4-9,12,14-15,17,24,29H,3,10-11,13,16H2.
What are the key properties of N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide?
N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide has a molecular weight of 524.90 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-chlorophenyl)-6-(2,4-dichlorophenyl)piperidin-3-yl]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 58956934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).