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

C28H21ClF2N4O2S — CID 58229513

IUPACN-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCC(Cc1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1)c1ccc(F)cc1
InChIInChI=1S/C28H21ClF2N4O2S/c1-17(18-2-5-21(30)6-3-18)12-23-16-32-25-11-4-19(13-26(25)34-23)20-14-27(28(29)33-15-20)35-38(36,37)24-9-7-22(31)8-10-24/h2-11,13-17,35H,12H2,1H3
InChIKeyGHAMUJKKUUJUEK-UHFFFAOYSA-N
MW551.02 g/mol
LogP6.77
Rot. Bonds7

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

N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 58229513) has the molecular formula C28H21ClF2N4O2S and a molecular weight of 551.02 g/mol. Its IUPAC name is N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID58229513
Molecular FormulaC28H21ClF2N4O2S
Molecular Weight551.02 g/mol
Exact Mass550.10
IUPAC NameN-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCC(Cc1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1)c1ccc(F)cc1
InChIInChI=1S/C28H21ClF2N4O2S/c1-17(18-2-5-21(30)6-3-18)12-23-16-32-25-11-4-19(13-26(25)34-23)20-14-27(28(29)33-15-20)35-38(36,37)24-9-7-22(31)8-10-24/h2-11,13-17,35H,12H2,1H3
InChIKeyGHAMUJKKUUJUEK-UHFFFAOYSA-N
XLogP6.77
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.02
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
N-[5-(pyridin-3-yl)quinolin-8-yl]-3-(trifluoromethyl)benzene-1-sulfonamide
CID 118873492
9-chloro-5H-6-thia-4,5-diaza-chrysene 6,6-dioxide
CID 16759933
N-[2-chloro-5-[3-(cyclohexylmethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608114
N-(2-Chloro-5-(3-(piperazin-1-yl)quinoxalin-6-yl)pyridin-3-yl)-4-fluorobenzenesulfonamide
CID 44608429
N-[2-chloro-5-[3-(2-methoxyethylamino)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608432
N-[2-chloro-5-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinolin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44608754
N-[2-chloro-5-(3-morpholin-4-ylquinoxalin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609387
N-[2-chloro-5-[3-(4-propan-2-ylpiperazin-1-yl)quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609388
N-[5-[4-(4-benzylpiperazin-1-yl)quinolin-6-yl]-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44609547
N-[2-chloro-5-[3-[2-methoxyethyl(methyl)amino]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 44610162
N-[2-chloro-5-[3-(4,4-difluoropiperidin-1-yl)quinoxalin-6-yl]pyridin-3-yl]-4-fluorobenzenesulfonamide
CID 44610163

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 58229513) is N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is CC(Cc1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)cc2n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is GHAMUJKKUUJUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2N4O2S/c1-17(18-2-5-21(30)6-3-18)12-23-16-32-25-11-4-19(13-26(25)34-23)20-14-27(28(29)33-15-20)35-38(36,37)24-9-7-22(31)8-10-24/h2-11,13-17,35H,12H2,1H3.
What are the key properties of N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 551.02 g/mol, XLogP of 6.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-[3-[2-(4-fluorophenyl)propyl]quinoxalin-6-yl]-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 58229513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).