4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide

C16H16BrN3O2S — CID 118710111

IUPAC4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESCC1CN(c2ccc(S(N)(=O)=O)cc2)C(c2cccc(Br)c2)=N1
InChIInChI=1S/C16H16BrN3O2S/c1-11-10-20(14-5-7-15(8-6-14)23(18,21)22)16(19-11)12-3-2-4-13(17)9-12/h2-9,11H,10H2,1H3,(H2,18,21,22)
InChIKeySSBRGYWKBCIRNI-UHFFFAOYSA-N
MW394.29 g/mol
LogP2.75
Rot. Bonds3

About 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide

4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide (PubChem CID 118710111) has the molecular formula C16H16BrN3O2S and a molecular weight of 394.29 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide
PubChem CID118710111
Molecular FormulaC16H16BrN3O2S
Molecular Weight394.29 g/mol
Exact Mass393.01
IUPAC Name4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESCC1CN(c2ccc(S(N)(=O)=O)cc2)C(c2cccc(Br)c2)=N1
InChIInChI=1S/C16H16BrN3O2S/c1-11-10-20(14-5-7-15(8-6-14)23(18,21)22)16(19-11)12-3-2-4-13(17)9-12/h2-9,11H,10H2,1H3,(H2,18,21,22)
InChIKeySSBRGYWKBCIRNI-UHFFFAOYSA-N
XLogP2.75
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.29
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide (CID 118710111) is 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide is CC1CN(c2ccc(S(N)(=O)=O)cc2)C(c2cccc(Br)c2)=N1.
What is the InChIKey of 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The InChIKey is SSBRGYWKBCIRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN3O2S/c1-11-10-20(14-5-7-15(8-6-14)23(18,21)22)16(19-11)12-3-2-4-13(17)9-12/h2-9,11H,10H2,1H3,(H2,18,21,22).
What are the key properties of 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide has a molecular weight of 394.29 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromophenyl)-4-methyl-4,5-dihydroimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 118710111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).