1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine

C14H10BrClN2O2S — CID 11292089

IUPAC1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine
SMILESCc1c(Br)c2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10BrClN2O2S/c1-9-13(15)12-11(16)7-8-17-14(12)18(9)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAUBQFBVMEASCAT-UHFFFAOYSA-N
MW385.67 g/mol
LogP4.00
Rot. Bonds2

About 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine (PubChem CID 11292089) has the molecular formula C14H10BrClN2O2S and a molecular weight of 385.67 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine
PubChem CID11292089
Molecular FormulaC14H10BrClN2O2S
Molecular Weight385.67 g/mol
Exact Mass383.93
IUPAC Name1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine
SMILESCc1c(Br)c2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H10BrClN2O2S/c1-9-13(15)12-11(16)7-8-17-14(12)18(9)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyAUBQFBVMEASCAT-UHFFFAOYSA-N
XLogP4.00
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine (CID 11292089) is 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine is Cc1c(Br)c2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine?
The InChIKey is AUBQFBVMEASCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClN2O2S/c1-9-13(15)12-11(16)7-8-17-14(12)18(9)21(19,20)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine has a molecular weight of 385.67 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-bromo-4-chloro-2-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11292089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).