N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide

C22H19N3O3S — CID 46772764

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S/c26-29(27,21-12-10-20(11-13-21)28-19-7-2-1-3-8-19)24-16-18-6-4-5-9-22(18)25-15-14-23-17-25/h1-15,17,24H,16H2
InChIKeyBOFXWVPGIGERRO-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.14
Rot. Bonds7

About N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide

N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide (PubChem CID 46772764) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide
PubChem CID46772764
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19N3O3S/c26-29(27,21-12-10-20(11-13-21)28-19-7-2-1-3-8-19)24-16-18-6-4-5-9-22(18)25-15-14-23-17-25/h1-15,17,24H,16H2
InChIKeyBOFXWVPGIGERRO-UHFFFAOYSA-N
XLogP4.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(2-imidazol-1-ylphenyl)methyl]benzenesulfonamide
CID 60580487
N-[(2-imidazol-1-ylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 30380953
N-[(2-imidazol-1-ylphenyl)methyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 46970043
N-[(2-imidazol-1-ylphenyl)methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 92676674
1-(2-phenoxyphenyl)imidazole
CID 21429172
N-(2-imidazol-1-ylphenyl)benzenesulfonamide
CID 64592915
3-(benzenesulfonamido)-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 28565306
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]benzenesulfonamide
CID 46764245
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
N-[(2-imidazol-1-ylphenyl)methyl]-3-(methoxymethyl)piperidine-1-sulfonamide
CID 131948153
N-[(2-imidazol-1-ylphenyl)methyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 92679723

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide (CID 46772764) is N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide is O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide?
The InChIKey is BOFXWVPGIGERRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c26-29(27,21-12-10-20(11-13-21)28-19-7-2-1-3-8-19)24-16-18-6-4-5-9-22(18)25-15-14-23-17-25/h1-15,17,24H,16H2.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide?
N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 46772764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).