N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide

C23H21N3O3S — CID 67701147

IUPACN-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide
SMILESCc1cn(-c2ccc(NS(=O)(=O)Cc3cccc(-c4ccccc4)c3)cc2O)cn1
InChIInChI=1S/C23H21N3O3S/c1-17-14-26(16-24-17)22-11-10-21(13-23(22)27)25-30(28,29)15-18-6-5-9-20(12-18)19-7-3-2-4-8-19/h2-14,16,25,27H,15H2,1H3
InChIKeyHCNXEJHFWNNJKL-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.50
Rot. Bonds6

About N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide

N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide (PubChem CID 67701147) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide
PubChem CID67701147
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide
SMILESCc1cn(-c2ccc(NS(=O)(=O)Cc3cccc(-c4ccccc4)c3)cc2O)cn1
InChIInChI=1S/C23H21N3O3S/c1-17-14-26(16-24-17)22-11-10-21(13-23(22)27)25-30(28,29)15-18-6-5-9-20(12-18)19-7-3-2-4-8-19/h2-14,16,25,27H,15H2,1H3
InChIKeyHCNXEJHFWNNJKL-UHFFFAOYSA-N
XLogP4.50
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide?
The IUPAC name of N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide (CID 67701147) is N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide.
What is the SMILES notation for N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide?
The canonical SMILES for N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide is Cc1cn(-c2ccc(NS(=O)(=O)Cc3cccc(-c4ccccc4)c3)cc2O)cn1.
What is the InChIKey of N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide?
The InChIKey is HCNXEJHFWNNJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c1-17-14-26(16-24-17)22-11-10-21(13-23(22)27)25-30(28,29)15-18-6-5-9-20(12-18)19-7-3-2-4-8-19/h2-14,16,25,27H,15H2,1H3.
What are the key properties of N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide?
N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide has a molecular weight of 419.51 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-4-(4-methylimidazol-1-yl)phenyl]-1-(3-phenylphenyl)methanesulfonamide is sourced from PubChem (CID 67701147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).