N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide

C29H32Cl2N4O3S — CID 142254529

IUPACN-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C1CC[C@@](CCN2CCC(NS(=O)(=O)c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C29H32Cl2N4O3S/c30-25-10-9-22(20-26(25)31)29(14-11-28(36)35(21-29)27-8-4-5-16-32-27)15-19-34-17-12-23(13-18-34)33-39(37,38)24-6-2-1-3-7-24/h1-10,16,20,23,33H,11-15,17-19,21H2/t29-/m0/s1
InChIKeyYMAZJCRZWGDVRY-LJAQVGFWSA-N
MW587.57 g/mol
LogP5.29
Rot. Bonds8

About N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide

N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 142254529) has the molecular formula C29H32Cl2N4O3S and a molecular weight of 587.57 g/mol. Its IUPAC name is N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide
PubChem CID142254529
Molecular FormulaC29H32Cl2N4O3S
Molecular Weight587.57 g/mol
Exact Mass586.16
IUPAC NameN-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide
SMILESO=C1CC[C@@](CCN2CCC(NS(=O)(=O)c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C29H32Cl2N4O3S/c30-25-10-9-22(20-26(25)31)29(14-11-28(36)35(21-29)27-8-4-5-16-32-27)15-19-34-17-12-23(13-18-34)33-39(37,38)24-6-2-1-3-7-24/h1-10,16,20,23,33H,11-15,17-19,21H2/t29-/m0/s1
InChIKeyYMAZJCRZWGDVRY-LJAQVGFWSA-N
XLogP5.29
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.57
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dichlorophenyl)-5-[2-(4-phenylpiperidin-1-yl)ethyl]-1-pyridin-2-ylpiperidin-2-one
CID 22061388
(5S)-5-(3,4-dichlorophenyl)-5-[2-[3-(4-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]-1-pyridin-2-ylpiperidin-2-one
CID 58649183
N-[1-[2-[3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]pyrrolidin-3-yl]-N-methylacetamide
CID 21030043
(5S)-5-(3,4-dichlorophenyl)-5-(2,2-dimethoxyethyl)-1-pyridin-2-ylpiperidin-2-one
CID 58649130
(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
CID 58649102
(5S)-5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 58649164
5-(3,4-dichlorophenyl)-1-(6-methyl-2-pyridinyl)-5-[2-(3-morpholin-4-ylazetidin-1-yl)ethyl]piperidin-2-one
CID 22061319
5-(3,4-dichlorophenyl)-5-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]ethyl]-1-(6-methyl-2-pyridinyl)piperidin-2-one
CID 22061350
4-[1-[2-[(3S)-1-(cyclopropylmethyl)-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]ethyl]azetidin-3-yl]piperidine-1-sulfonamide
CID 102007115
1-benzyl-5-(3,4-dichlorophenyl)-5-[2-[3-(3-hydroxypiperidin-1-yl)azetidin-1-yl]ethyl]piperidin-2-one
CID 11827396
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 18137019

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide (CID 142254529) is N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide is O=C1CC[C@@](CCN2CCC(NS(=O)(=O)c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1.
What is the InChIKey of N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is YMAZJCRZWGDVRY-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H32Cl2N4O3S/c30-25-10-9-22(20-26(25)31)29(14-11-28(36)35(21-29)27-8-4-5-16-32-27)15-19-34-17-12-23(13-18-34)33-39(37,38)24-6-2-1-3-7-24/h1-10,16,20,23,33H,11-15,17-19,21H2/t29-/m0/s1.
What are the key properties of N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide?
N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 587.57 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3R)-3-(3,4-dichlorophenyl)-6-oxo-1-pyridin-2-ylpiperidin-3-yl]ethyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 142254529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).