6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide

C22H18F2N4O3S — CID 67013013

IUPAC6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(Cc1ccc(F)cc1F)NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H18F2N4O3S/c23-15-8-7-14(17(24)12-15)13-22(9-2-1-4-16(22)21(25)29)28-32(30,31)19-6-3-5-18-20(19)27-11-10-26-18/h1-12,16,28H,13H2,(H2,25,29)
InChIKeyQZHPPWHDCOUCRM-UHFFFAOYSA-N
MW456.47 g/mol
LogP2.40
Rot. Bonds6

About 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide

6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 67013013) has the molecular formula C22H18F2N4O3S and a molecular weight of 456.47 g/mol. Its IUPAC name is 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
PubChem CID67013013
Molecular FormulaC22H18F2N4O3S
Molecular Weight456.47 g/mol
Exact Mass456.11
IUPAC Name6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
SMILESNC(=O)C1C=CC=CC1(Cc1ccc(F)cc1F)NS(=O)(=O)c1cccc2nccnc12
InChIInChI=1S/C22H18F2N4O3S/c23-15-8-7-14(17(24)12-15)13-22(9-2-1-4-16(22)21(25)29)28-32(30,31)19-6-3-5-18-20(19)27-11-10-26-18/h1-12,16,28H,13H2,(H2,25,29)
InChIKeyQZHPPWHDCOUCRM-UHFFFAOYSA-N
XLogP2.40
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide with MolForge

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Related Compounds

6-[1-(2,4-difluorophenyl)-2-fluoroethyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide
CID 67014327
4-chloro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 141141160
4-bromo-N-[1-(2,4-difluorophenyl)-2-fluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11180556
N-[1-(2,4-difluorophenyl)-2,2,2-trifluoroethyl]-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 67013095
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-4-fluoro-2-(quinoxalin-5-ylsulfonylamino)benzamide
CID 11318350
ethane;2-(quinoxalin-5-ylsulfonylamino)benzoic acid
CID 90727760
(2,4-difluorophenyl)methanesulfonic acid
CID 87155472
N-(2,5-difluorophenyl)quinoline-8-sulfonamide
CID 22773481
4-[(2,4-difluorophenyl)methylamino]pyridine-2-carboxamide
CID 62228128
2,5-difluoro-N-pyrimidin-2-ylbenzenesulfonamide
CID 6465175
N-(3-chlorophenyl)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]quinoxaline-5-sulfonamide
CID 141111550
N-[(2,4-difluorophenyl)methyl]quinolin-4-amine
CID 62227376

Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide (CID 67013013) is 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide is NC(=O)C1C=CC=CC1(Cc1ccc(F)cc1F)NS(=O)(=O)c1cccc2nccnc12.
What is the InChIKey of 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is QZHPPWHDCOUCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O3S/c23-15-8-7-14(17(24)12-15)13-22(9-2-1-4-16(22)21(25)29)28-32(30,31)19-6-3-5-18-20(19)27-11-10-26-18/h1-12,16,28H,13H2,(H2,25,29).
What are the key properties of 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide?
6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-difluorophenyl)methyl]-6-(quinoxalin-5-ylsulfonylamino)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 67013013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).