bis(3-imidazol-1-ylsulfonylphenyl)methanone

C19H14N4O5S2 — CID 11812262

IUPACbis(3-imidazol-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)n2ccnc2)c1)c1cccc(S(=O)(=O)n2ccnc2)c1
InChIInChI=1S/C19H14N4O5S2/c24-19(15-3-1-5-17(11-15)29(25,26)22-9-7-20-13-22)16-4-2-6-18(12-16)30(27,28)23-10-8-21-14-23/h1-14H
InChIKeyHHUBBZVJYAKAFD-UHFFFAOYSA-N
MW442.48 g/mol
LogP1.78
Rot. Bonds6

About bis(3-imidazol-1-ylsulfonylphenyl)methanone

bis(3-imidazol-1-ylsulfonylphenyl)methanone (PubChem CID 11812262) has the molecular formula C19H14N4O5S2 and a molecular weight of 442.48 g/mol. Its IUPAC name is bis(3-imidazol-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Namebis(3-imidazol-1-ylsulfonylphenyl)methanone
PubChem CID11812262
Molecular FormulaC19H14N4O5S2
Molecular Weight442.48 g/mol
Exact Mass442.04
IUPAC Namebis(3-imidazol-1-ylsulfonylphenyl)methanone
SMILESO=C(c1cccc(S(=O)(=O)n2ccnc2)c1)c1cccc(S(=O)(=O)n2ccnc2)c1
InChIInChI=1S/C19H14N4O5S2/c24-19(15-3-1-5-17(11-15)29(25,26)22-9-7-20-13-22)16-4-2-6-18(12-16)30(27,28)23-10-8-21-14-23/h1-14H
InChIKeyHHUBBZVJYAKAFD-UHFFFAOYSA-N
XLogP1.78
TPSA120.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

azane;1-(4-methylphenyl)sulfonylimidazole
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[2-amino-3-(benzenesulfonyl)benzimidazol-5-yl]-phenylmethanone
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3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide chloride
CID 53314248
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-imidazol-1-ylethylsulfamoyl)benzamide
CID 77088639
3-(pyridine-2-carbonyl)benzenesulfonyl fluoride
CID 165460462
3-(4-hydroxypiperidin-1-yl)sulfonylbenzoic acid
CID 16783100
N,N-diethyl-3-[[[(2R)-2-imidazol-1-ylpropanoyl]amino]carbamoyl]benzenesulfonamide
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CID 115793456
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CID 55966550

Frequently Asked Questions

What is the IUPAC name of bis(3-imidazol-1-ylsulfonylphenyl)methanone?
The IUPAC name of bis(3-imidazol-1-ylsulfonylphenyl)methanone (CID 11812262) is bis(3-imidazol-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for bis(3-imidazol-1-ylsulfonylphenyl)methanone?
The canonical SMILES for bis(3-imidazol-1-ylsulfonylphenyl)methanone is O=C(c1cccc(S(=O)(=O)n2ccnc2)c1)c1cccc(S(=O)(=O)n2ccnc2)c1.
What is the InChIKey of bis(3-imidazol-1-ylsulfonylphenyl)methanone?
The InChIKey is HHUBBZVJYAKAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O5S2/c24-19(15-3-1-5-17(11-15)29(25,26)22-9-7-20-13-22)16-4-2-6-18(12-16)30(27,28)23-10-8-21-14-23/h1-14H.
What are the key properties of bis(3-imidazol-1-ylsulfonylphenyl)methanone?
bis(3-imidazol-1-ylsulfonylphenyl)methanone has a molecular weight of 442.48 g/mol, XLogP of 1.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-imidazol-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 11812262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).