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

C15H14BrN3O2S — CID 118710110

IUPAC4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN=C2c2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrN3O2S/c16-12-3-1-2-11(10-12)15-18-8-9-19(15)13-4-6-14(7-5-13)22(17,20)21/h1-7,10H,8-9H2,(H2,17,20,21)
InChIKeyJVZZJPVPAWUURM-UHFFFAOYSA-N
MW380.27 g/mol
LogP2.36
Rot. Bonds3

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

4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide (PubChem CID 118710110) has the molecular formula C15H14BrN3O2S and a molecular weight of 380.27 g/mol. Its IUPAC name is 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
PubChem CID118710110
Molecular FormulaC15H14BrN3O2S
Molecular Weight380.27 g/mol
Exact Mass379.00
IUPAC Name4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCN=C2c2cccc(Br)c2)cc1
InChIInChI=1S/C15H14BrN3O2S/c16-12-3-1-2-11(10-12)15-18-8-9-19(15)13-4-6-14(7-5-13)22(17,20)21/h1-7,10H,8-9H2,(H2,17,20,21)
InChIKeyJVZZJPVPAWUURM-UHFFFAOYSA-N
XLogP2.36
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 52.36
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)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide (CID 118710110) is 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCN=C2c2cccc(Br)c2)cc1.
What is the InChIKey of 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
The InChIKey is JVZZJPVPAWUURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O2S/c16-12-3-1-2-11(10-12)15-18-8-9-19(15)13-4-6-14(7-5-13)22(17,20)21/h1-7,10H,8-9H2,(H2,17,20,21).
What are the key properties of 4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide?
4-[2-(3-bromophenyl)-4,5-dihydroimidazol-1-yl]benzenesulfonamide has a molecular weight of 380.27 g/mol, XLogP of 2.36, 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)-4,5-dihydroimidazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 118710110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).