N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide

C18H17N3O2S — CID 71835292

IUPACN-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C18H17N3O2S/c22-24(23,12-9-16-5-2-1-3-6-16)20-18-8-4-7-17(13-18)14-21-11-10-19-15-21/h1-13,15,20H,14H2
InChIKeyWZSYSNZRRCAOMX-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.34
Rot. Bonds6

About N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide

N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide (PubChem CID 71835292) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide.

Molecular Properties

Compound NameN-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
PubChem CID71835292
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC NameN-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide
SMILESO=S(=O)(C=Cc1ccccc1)Nc1cccc(Cn2ccnc2)c1
InChIInChI=1S/C18H17N3O2S/c22-24(23,12-9-16-5-2-1-3-6-16)20-18-8-4-7-17(13-18)14-21-11-10-19-15-21/h1-13,15,20H,14H2
InChIKeyWZSYSNZRRCAOMX-UHFFFAOYSA-N
XLogP3.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(imidazol-1-ylmethyl)-N-[(E)-3-phenylprop-2-enyl]aniline
CID 6474849
2-[[3-(imidazol-1-ylmethyl)phenyl]sulfamoyl]acetic acid
CID 43698229
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
benzaldehyde;1-benzylimidazole
CID 23446402
(E)-N-[3-(diethylamino)phenyl]-2-phenylethenesulfonamide
CID 58752965
(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
2-bromo-N-[3-(imidazol-1-ylmethyl)phenyl]acetamide
CID 63679875
3-(imidazol-1-ylmethyl)-N-[(3-methylphenyl)methyl]aniline
CID 43737809
4-(imidazol-1-ylmethyl)-N-(2-phenylethenyl)benzamide
CID 174355891
(E)-N-(2-benzyl-5-methylpyrazol-3-yl)-2-phenylethenesulfonamide
CID 166403503
3-[3-[[(E)-2-phenylethenyl]sulfonylamino]phenyl]propyl acetate
CID 75524808
N-(3-ethylphenyl)-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 27256502

Frequently Asked Questions

What is the IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide?
The IUPAC name of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide (CID 71835292) is N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide.
What is the SMILES notation for N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide?
The canonical SMILES for N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide is O=S(=O)(C=Cc1ccccc1)Nc1cccc(Cn2ccnc2)c1.
What is the InChIKey of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide?
The InChIKey is WZSYSNZRRCAOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c22-24(23,12-9-16-5-2-1-3-6-16)20-18-8-4-7-17(13-18)14-21-11-10-19-15-21/h1-13,15,20H,14H2.
What are the key properties of N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide?
N-[3-(imidazol-1-ylmethyl)phenyl]-2-phenylethenesulfonamide has a molecular weight of 339.42 g/mol, XLogP of 3.34, 6 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]-2-phenylethenesulfonamide is sourced from PubChem (CID 71835292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).