2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol

C16H13BrN2O3S — CID 136781757

IUPAC2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
SMILESCc1ccc(S(=O)(=O)n2ccnc2-c2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C16H13BrN2O3S/c1-11-2-5-13(6-3-11)23(21,22)19-9-8-18-16(19)12-4-7-15(20)14(17)10-12/h2-10,20H,1H3
InChIKeySUPQNNAUSFEFPW-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.56
Rot. Bonds3

About 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol

2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol (PubChem CID 136781757) has the molecular formula C16H13BrN2O3S and a molecular weight of 393.26 g/mol. Its IUPAC name is 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
PubChem CID136781757
Molecular FormulaC16H13BrN2O3S
Molecular Weight393.26 g/mol
Exact Mass391.98
IUPAC Name2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
SMILESCc1ccc(S(=O)(=O)n2ccnc2-c2ccc(O)c(Br)c2)cc1
InChIInChI=1S/C16H13BrN2O3S/c1-11-2-5-13(6-3-11)23(21,22)19-9-8-18-16(19)12-4-7-15(20)14(17)10-12/h2-10,20H,1H3
InChIKeySUPQNNAUSFEFPW-UHFFFAOYSA-N
XLogP3.56
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
2-bromo-4-(1-ethylimidazol-2-yl)phenol
CID 136822357
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-amine
CID 67078609
3-bromo-1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
CID 15541239
3-bromo-4-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 146169458
4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 68743668
2-bromo-4-(methylsulfonimidoyl)phenol
CID 129043458
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol?
The IUPAC name of 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol (CID 136781757) is 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol.
What is the SMILES notation for 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol?
The canonical SMILES for 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol is Cc1ccc(S(=O)(=O)n2ccnc2-c2ccc(O)c(Br)c2)cc1.
What is the InChIKey of 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol?
The InChIKey is SUPQNNAUSFEFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3S/c1-11-2-5-13(6-3-11)23(21,22)19-9-8-18-16(19)12-4-7-15(20)14(17)10-12/h2-10,20H,1H3.
What are the key properties of 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol?
2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol has a molecular weight of 393.26 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol is sourced from PubChem (CID 136781757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).