1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole

C15H11BrN2O2S — CID 110534917

IUPAC1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
SMILESO=S(=O)(c1ccccc1)n1ccnc1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O2S/c16-13-6-4-5-12(11-13)15-17-9-10-18(15)21(19,20)14-7-2-1-3-8-14/h1-11H
InChIKeyBEFATTBNQHTUJV-UHFFFAOYSA-N
MW363.24 g/mol
LogP3.55
Rot. Bonds3

About 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole

1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole (PubChem CID 110534917) has the molecular formula C15H11BrN2O2S and a molecular weight of 363.24 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
PubChem CID110534917
Molecular FormulaC15H11BrN2O2S
Molecular Weight363.24 g/mol
Exact Mass361.97
IUPAC Name1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
SMILESO=S(=O)(c1ccccc1)n1ccnc1-c1cccc(Br)c1
InChIInChI=1S/C15H11BrN2O2S/c16-13-6-4-5-12(11-13)15-17-9-10-18(15)21(19,20)14-7-2-1-3-8-14/h1-11H
InChIKeyBEFATTBNQHTUJV-UHFFFAOYSA-N
XLogP3.55
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
CID 110538672
1-(3-bromophenyl)sulfonyl-2-methylimidazole
CID 59803458
2-(3-bromophenyl)-1-phenylimidazole
CID 70654369
1-(5-bromo-2-methoxyphenyl)sulfonyl-2-phenylimidazole
CID 4048187
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
CID 136781757
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
1-(benzenesulfonyl)-2-[4-(3-phenylpropoxy)phenyl]imidazole
CID 110531347
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole (CID 110534917) is 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole is O=S(=O)(c1ccccc1)n1ccnc1-c1cccc(Br)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole?
The InChIKey is BEFATTBNQHTUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2S/c16-13-6-4-5-12(11-13)15-17-9-10-18(15)21(19,20)14-7-2-1-3-8-14/h1-11H.
What are the key properties of 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole?
1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole has a molecular weight of 363.24 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole is sourced from PubChem (CID 110534917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).