N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide

C23H21N3O2S — CID 55905053

IUPACN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Cn2ccnc2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2S/c27-29(28,23-11-9-22(10-12-23)21-7-2-1-3-8-21)25-16-19-5-4-6-20(15-19)17-26-14-13-24-18-26/h1-15,18,25H,16-17H2
InChIKeyQKPMCRLRQQZAQG-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.08
Rot. Bonds7

About N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide (PubChem CID 55905053) has the molecular formula C23H21N3O2S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
PubChem CID55905053
Molecular FormulaC23H21N3O2S
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide
SMILESO=S(=O)(NCc1cccc(Cn2ccnc2)c1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H21N3O2S/c27-29(28,23-11-9-22(10-12-23)21-7-2-1-3-8-21)25-16-19-5-4-6-20(15-19)17-26-14-13-24-18-26/h1-15,18,25H,16-17H2
InChIKeyQKPMCRLRQQZAQG-UHFFFAOYSA-N
XLogP4.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 75391678
3,3-difluoro-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]butane-1-sulfonamide
CID 146108457
4-[2-(4-phenylphenyl)ethynyl]-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 144614843
methyl 3-[[(4-phenylphenyl)sulfonylamino]methyl]benzoate
CID 68822710
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55636536
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 55852556
N-[[3-(aminomethyl)phenyl]methyl]benzenesulfonamide
CID 43589421
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
CID 71835292
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87033969
1-[(2-fluorophenyl)methyl]-3-[[3-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 38273983
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4-phenylbenzenesulfonamide
CID 55873999

Frequently Asked Questions

What is the IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The IUPAC name of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide (CID 55905053) is N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide.
What is the SMILES notation for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The canonical SMILES for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide is O=S(=O)(NCc1cccc(Cn2ccnc2)c1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
The InChIKey is QKPMCRLRQQZAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2S/c27-29(28,23-11-9-22(10-12-23)21-7-2-1-3-8-21)25-16-19-5-4-6-20(15-19)17-26-14-13-24-18-26/h1-15,18,25H,16-17H2.
What are the key properties of N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide?
N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide has a molecular weight of 403.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]-4-phenylbenzenesulfonamide is sourced from PubChem (CID 55905053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).