5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine

C17H14BrClN2O2S — CID 135358268

IUPAC5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine
SMILESC/C=C/c1cc2c(Cl)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H14BrClN2O2S/c1-3-4-12-9-14-16(19)15(18)10-20-17(14)21(12)24(22,23)13-7-5-11(2)6-8-13/h3-10H,1-2H3/b4-3+
InChIKeyNBCWDAXOAQQAPQ-ONEGZZNKSA-N
MW425.74 g/mol
LogP5.03
Rot. Bonds3

About 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine

5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine (PubChem CID 135358268) has the molecular formula C17H14BrClN2O2S and a molecular weight of 425.74 g/mol. Its IUPAC name is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine
PubChem CID135358268
Molecular FormulaC17H14BrClN2O2S
Molecular Weight425.74 g/mol
Exact Mass423.96
IUPAC Name5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine
SMILESC/C=C/c1cc2c(Cl)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H14BrClN2O2S/c1-3-4-12-9-14-16(19)15(18)10-20-17(14)21(12)24(22,23)13-7-5-11(2)6-8-13/h3-10H,1-2H3/b4-3+
InChIKeyNBCWDAXOAQQAPQ-ONEGZZNKSA-N
XLogP5.03
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.74
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

4-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-diethylbenzenesulfonamide
CID 1157247
4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 852078
4-Chloro-1-benzenesulfonyl-7-azaindole
CID 5060224
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 940617
1-[(2,4-dichlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
CID 1491483
5-bromo-2-[1-(3-chloro-4-methylsulfonylphenyl)-2-cyclopentylethyl]-1H-pyrrolo[2,3-b]pyridine
CID 127042498
5-bromo-N-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
CID 155815886
1-(Toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]pyridine
CID 1479966
1-[(4-chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridine
CID 2767864
N-[5-(6-bromo-2-methylimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 46913313
N-[5-(6-bromoimidazo[1,2-a]pyridin-3-yl)-2-chloro-3-pyridinyl]-4-fluorobenzenesulfonamide
CID 46913314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine (CID 135358268) is 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine is C/C=C/c1cc2c(Cl)c(Br)cnc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine?
The InChIKey is NBCWDAXOAQQAPQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H14BrClN2O2S/c1-3-4-12-9-14-16(19)15(18)10-20-17(14)21(12)24(22,23)13-7-5-11(2)6-8-13/h3-10H,1-2H3/b4-3+.
What are the key properties of 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine?
5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine has a molecular weight of 425.74 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 135358268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).