N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

C25H23ClFN5O3S — CID 44608118

IUPACN-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOC1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1
InChIInChI=1S/C25H23ClFN5O3S/c1-35-19-8-10-32(11-9-19)24-15-28-21-7-2-16(12-22(21)30-24)17-13-23(25(26)29-14-17)31-36(33,34)20-5-3-18(27)4-6-20/h2-7,12-15,19,31H,8-11H2,1H3
InChIKeyAKUBJNKMQOIYPV-UHFFFAOYSA-N
MW528.01 g/mol
LogP4.90
Rot. Bonds6

About N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 44608118) has the molecular formula C25H23ClFN5O3S and a molecular weight of 528.01 g/mol. Its IUPAC name is N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID44608118
Molecular FormulaC25H23ClFN5O3S
Molecular Weight528.01 g/mol
Exact Mass527.12
IUPAC NameN-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOC1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1
InChIInChI=1S/C25H23ClFN5O3S/c1-35-19-8-10-32(11-9-19)24-15-28-21-7-2-16(12-22(21)30-24)17-13-23(25(26)29-14-17)31-36(33,34)20-5-3-18(27)4-6-20/h2-7,12-15,19,31H,8-11H2,1H3
InChIKeyAKUBJNKMQOIYPV-UHFFFAOYSA-N
XLogP4.90
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.01
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

N-[2-chloro-5-(3-fluoroquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;ethane
CID 143915344
N-[2-chloro-5-[4-(4-methoxypiperidin-1-yl)quinolin-6-yl]-3-pyridinyl]-4-methoxybenzenesulfonamide
CID 44610158
N-[2-chloro-5-[3-(2-phenoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610480
N-[2-chloro-5-[4-(2-methoxyethoxy)quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609700
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
N-[6-[6-chloro-5-[(4-fluorophenyl)sulfonylamino]-3-pyridinyl]-1,3-benzoxazol-2-yl]acetamide
CID 53387738
N-[2-chloro-5-[4-(3-methoxyphenyl)-3-oxo-1,4-benzoxazin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 148928697
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
N-[2-chloro-5-(1,7-naphthyridin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608268
N-(2-chloro-5-imidazo[1,2-a]pyridin-3-yl-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 46913311
4-fluoro-2-(4-methoxypiperidin-1-yl)pyridine
CID 70661184
N-[5-(4-benzyl-3-oxoquinoxalin-6-yl)-2-chloro-3-pyridinyl]benzenesulfonamide
CID 59613730

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 44608118) is N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is COC1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1.
What is the InChIKey of N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is AKUBJNKMQOIYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3S/c1-35-19-8-10-32(11-9-19)24-15-28-21-7-2-16(12-22(21)30-24)17-13-23(25(26)29-14-17)31-36(33,34)20-5-3-18(27)4-6-20/h2-7,12-15,19,31H,8-11H2,1H3.
What are the key properties of N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 528.01 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-(4-methoxypiperidin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 44608118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).