N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

C21H22FN3O4S — CID 31075628

IUPACN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc2[nH]c1=O
InChIInChI=1S/C21H22FN3O4S/c22-15-8-6-14(7-9-15)13-25(16-4-2-1-3-5-16)30(28,29)17-10-11-18-19(12-17)24-21(27)20(26)23-18/h6-12,16H,1-5,13H2,(H,23,26)(H,24,27)
InChIKeyLHCPVEWMGJIWDF-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.88
Rot. Bonds5

About N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide

N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (PubChem CID 31075628) has the molecular formula C21H22FN3O4S and a molecular weight of 431.49 g/mol. Its IUPAC name is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
PubChem CID31075628
Molecular FormulaC21H22FN3O4S
Molecular Weight431.49 g/mol
Exact Mass431.13
IUPAC NameN-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc2[nH]c1=O
InChIInChI=1S/C21H22FN3O4S/c22-15-8-6-14(7-9-15)13-25(16-4-2-1-3-5-16)30(28,29)17-10-11-18-19(12-17)24-21(27)20(26)23-18/h6-12,16H,1-5,13H2,(H,23,26)(H,24,27)
InChIKeyLHCPVEWMGJIWDF-UHFFFAOYSA-N
XLogP2.88
TPSA103.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,3-dioxo-N-(pyridin-3-ylmethyl)-1,4-dihydroquinoxaline-6-sulfonamide
CID 55511974
N-[4-[cyclohexyl-[(4-fluorophenyl)methyl]sulfamoyl]phenyl]acetamide
CID 9356254
N-cyclohexyl-N-[(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-4-fluorobenzenesulfonamide
CID 1162192
N-(2-aminoethyl)-N-cyclohexyl-4-fluorobenzenesulfonamide
CID 28708327
N-cyclopropyl-2,3,4,5,6-pentafluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 138498010
N-cyclobutyl-2,3,5-trifluoro-N-[(4-fluorophenyl)methyl]-4,6-dimethylbenzenesulfonamide
CID 138498077
4-chloro-N-cyclopentyl-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 3366760
N-[5-[cyclopropyl-[(4-fluorophenyl)methyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 26531285
4-[(4-fluorophenyl)methyl-(oxan-4-yl)sulfamoyl]benzoic acid
CID 167922314
N-cyclohexyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819771
1-acetyl-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531299
4-chloro-N-cyclohexyl-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 1169194

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The IUPAC name of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide (CID 31075628) is N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide.
What is the SMILES notation for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The canonical SMILES for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)N(Cc3ccc(F)cc3)C3CCCCC3)cc2[nH]c1=O.
What is the InChIKey of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
The InChIKey is LHCPVEWMGJIWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O4S/c22-15-8-6-14(7-9-15)13-25(16-4-2-1-3-5-16)30(28,29)17-10-11-18-19(12-17)24-21(27)20(26)23-18/h6-12,16H,1-5,13H2,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide?
N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide has a molecular weight of 431.49 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-[(4-fluorophenyl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-sulfonamide is sourced from PubChem (CID 31075628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).