N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide

C28H23FN4O3S — CID 59388804

IUPACN-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C28H23FN4O3S/c29-23-12-7-13-25(18-23)37(35,36)32-24-16-14-20(15-17-24)19-33-26(34)28(31-27(33)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-18,32H,19H2,(H2,30,31)
InChIKeyCTNLVAPBQLSIIV-UHFFFAOYSA-N
MW514.58 g/mol
LogP4.23
Rot. Bonds7

About N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide

N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide (PubChem CID 59388804) has the molecular formula C28H23FN4O3S and a molecular weight of 514.58 g/mol. Its IUPAC name is N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
PubChem CID59388804
Molecular FormulaC28H23FN4O3S
Molecular Weight514.58 g/mol
Exact Mass514.15
IUPAC NameN-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C28H23FN4O3S/c29-23-12-7-13-25(18-23)37(35,36)32-24-16-14-20(15-17-24)19-33-26(34)28(31-27(33)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-18,32H,19H2,(H2,30,31)
InChIKeyCTNLVAPBQLSIIV-UHFFFAOYSA-N
XLogP4.23
TPSA104.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.58
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]propane-1-sulfonamide
CID 25006056
N-[4-(bromomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296663
N-[4-(2-bromoethyl)phenyl]-3-fluorobenzenesulfonamide
CID 114296385
N-[3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]cyclopropanecarboxamide
CID 59386736
2-amino-3-[[4-(oxocan-4-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one
CID 145461543
N-[3-(aminomethyl)phenyl]-3-fluorobenzenesulfonamide
CID 16778006
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-fluoro-N-(1-phenyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 75453407
N-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543016
N-[3-(2-amino-1-methyl-5-oxo-4-phenylimidazol-4-yl)phenyl]thiophene-2-sulfonamide
CID 59388330
3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-(2-pyridin-3-ylethyl)benzamide
CID 59388257

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide (CID 59388804) is N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
The InChIKey is CTNLVAPBQLSIIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3S/c29-23-12-7-13-25(18-23)37(35,36)32-24-16-14-20(15-17-24)19-33-26(34)28(31-27(33)30,21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-18,32H,19H2,(H2,30,31).
What are the key properties of N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide?
N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide has a molecular weight of 514.58 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]phenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 59388804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).