5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane

C34H38Br4N4O5S2 — CID 158201885

IUPAC5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane
SMILESC.C.C.C1CCOC1.Cc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccc(Br)cc1.O=S(=O)(c1ccc(Br)cc1)n1ccc2cc(Br)cnc21
InChIInChI=1S/C14H10Br2N2O2S.C13H8Br2N2O2S.C4H8O.3CH4/c1-9-6-10-7-12(16)8-17-14(10)18(9)21(19,20)13-4-2-11(15)3-5-13;14-10-1-3-12(4-2-10)20(18,19)17-6-5-9-7-11(15)8-16-13(9)17;1-2-4-5-3-1;;;/h2-8H,1H3;1-8H;1-4H2;3*1H4
InChIKeyGBARATXKDUAUFV-UHFFFAOYSA-N
MW966.45 g/mol
LogP10.61
Rot. Bonds4

About 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane

5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane (PubChem CID 158201885) has the molecular formula C34H38Br4N4O5S2 and a molecular weight of 966.45 g/mol. Its IUPAC name is 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane.

Molecular Properties

Compound Name5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane
PubChem CID158201885
Molecular FormulaC34H38Br4N4O5S2
Molecular Weight966.45 g/mol
Exact Mass961.90
IUPAC Name5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane
SMILESC.C.C.C1CCOC1.Cc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccc(Br)cc1.O=S(=O)(c1ccc(Br)cc1)n1ccc2cc(Br)cnc21
InChIInChI=1S/C14H10Br2N2O2S.C13H8Br2N2O2S.C4H8O.3CH4/c1-9-6-10-7-12(16)8-17-14(10)18(9)21(19,20)13-4-2-11(15)3-5-13;14-10-1-3-12(4-2-10)20(18,19)17-6-5-9-7-11(15)8-16-13(9)17;1-2-4-5-3-1;;;/h2-8H,1H3;1-8H;1-4H2;3*1H4
InChIKeyGBARATXKDUAUFV-UHFFFAOYSA-N
XLogP10.61
TPSA113.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500966.45
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane with MolForge

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Related Compounds

4-[1-(4-Bromophenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 137646378
3-Bromo-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine
CID 11152320
4-[4-[1-(Benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]-2-fluorophenyl]morpholine
CID 118537446
4-Bromo-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-B]pyridine
CID 49759098
5-Bromo-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 50987734
5-bromo-1-(4-bromophenylsulfonyl)-2-methyl-1H-pyrrolo[2,3-b]pyridine
CID 57856305
5-Bromo-1-(4-bromophenyl)sulfonyl-2,3-dimethylpyrrolo[2,3-b]pyridine
CID 57856328
Benzenesulfonamide, 3-[4-bromo-1-[(4-methylphenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-
CID 58395769
1-(Benzenesulfonyl)-3-[1-(benzenesulfonyl)imidazol-4-yl]-5-bromopyrrolo[2,3-b]pyridine
CID 58758545
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-2-(1-methylethenyl)-1-(phenylsulfonyl)-
CID 59744492
4-[[4-[4-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-2-yl]phenyl]methyl]morpholine
CID 67002665
({4-[4-bromo-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]phenyl}methyl)dimethylamine
CID 68995219

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane?
The IUPAC name of 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane (CID 158201885) is 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane.
What is the SMILES notation for 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane?
The canonical SMILES for 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane is C.C.C.C1CCOC1.Cc1cc2cc(Br)cnc2n1S(=O)(=O)c1ccc(Br)cc1.O=S(=O)(c1ccc(Br)cc1)n1ccc2cc(Br)cnc21.
What is the InChIKey of 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane?
The InChIKey is GBARATXKDUAUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2N2O2S.C13H8Br2N2O2S.C4H8O.3CH4/c1-9-6-10-7-12(16)8-17-14(10)18(9)21(19,20)13-4-2-11(15)3-5-13;14-10-1-3-12(4-2-10)20(18,19)17-6-5-9-7-11(15)8-16-13(9)17;1-2-4-5-3-1;;;/h2-8H,1H3;1-8H;1-4H2;3*1H4.
What are the key properties of 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane?
5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane has a molecular weight of 966.45 g/mol, XLogP of 10.61, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-bromophenyl)sulfonyl-2-methylpyrrolo[2,3-b]pyridine;5-bromo-1-(4-bromophenyl)sulfonylpyrrolo[2,3-b]pyridine;methane;oxolane is sourced from PubChem (CID 158201885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).