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

C16H14N2O2S — CID 110538672

IUPAC1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
SMILESCc1cccc(-c2nccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O2S/c1-13-6-5-7-14(12-13)16-17-10-11-18(16)21(19,20)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyYRQCOGNXTGGNNP-UHFFFAOYSA-N
MW298.37 g/mol
LogP3.10
Rot. Bonds3

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

1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole (PubChem CID 110538672) has the molecular formula C16H14N2O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
PubChem CID110538672
Molecular FormulaC16H14N2O2S
Molecular Weight298.37 g/mol
Exact Mass298.08
IUPAC Name1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole
SMILESCc1cccc(-c2nccn2S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C16H14N2O2S/c1-13-6-5-7-14(12-13)16-17-10-11-18(16)21(19,20)15-8-3-2-4-9-15/h2-12H,1H3
InChIKeyYRQCOGNXTGGNNP-UHFFFAOYSA-N
XLogP3.10
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-2-(3-bromophenyl)imidazole
CID 110534917
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
1-(benzenesulfonyl)-2-(4-ethoxyphenyl)imidazole
CID 110537183
1-(benzenesulfonyl)-2-(4-propan-2-yloxyphenyl)imidazole
CID 110536342
1-(benzenesulfonyl)-2-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]imidazole
CID 110529999
1-(benzenesulfonyl)-2-(4-ethoxy-3-nitrophenyl)imidazole
CID 110534191
1-(benzenesulfonyl)-2-[3,5-dichloro-4-(2-methylpropoxy)phenyl]imidazole
CID 110531048
3-[1-(benzenesulfonyl)imidazol-2-yl]-1,2-dimethylindole
CID 110535784
2-bromo-4-[1-(4-methylphenyl)sulfonylimidazol-2-yl]phenol
CID 136781757
1-(benzenesulfonyl)-2-[2-[(4-methylphenyl)methoxy]phenyl]imidazole
CID 110532187
2-(3,5-dichloro-4-methoxyphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110532647
1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole (CID 110538672) is 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole is Cc1cccc(-c2nccn2S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole?
The InChIKey is YRQCOGNXTGGNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2S/c1-13-6-5-7-14(12-13)16-17-10-11-18(16)21(19,20)15-8-3-2-4-9-15/h2-12H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole?
1-(benzenesulfonyl)-2-(3-methylphenyl)imidazole has a molecular weight of 298.37 g/mol, XLogP of 3.10, 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-methylphenyl)imidazole is sourced from PubChem (CID 110538672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).