2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine

C17H11BrClNO2S — CID 66582460

IUPAC2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C17H11BrClNO2S/c18-13-7-8-16(20-11-13)12-6-9-17(15(19)10-12)23(21,22)14-4-2-1-3-5-14/h1-11H
InChIKeyJHDWUIDKJJLTBI-UHFFFAOYSA-N
MW408.70 g/mol
LogP5.00
Rot. Bonds3

About 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine

2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine (PubChem CID 66582460) has the molecular formula C17H11BrClNO2S and a molecular weight of 408.70 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine
PubChem CID66582460
Molecular FormulaC17H11BrClNO2S
Molecular Weight408.70 g/mol
Exact Mass406.94
IUPAC Name2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine
SMILESO=S(=O)(c1ccccc1)c1ccc(-c2ccc(Br)cn2)cc1Cl
InChIInChI=1S/C17H11BrClNO2S/c18-13-7-8-16(20-11-13)12-6-9-17(15(19)10-12)23(21,22)14-4-2-1-3-5-14/h1-11H
InChIKeyJHDWUIDKJJLTBI-UHFFFAOYSA-N
XLogP5.00
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.70
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine?
The IUPAC name of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine (CID 66582460) is 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine.
What is the SMILES notation for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine?
The canonical SMILES for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine is O=S(=O)(c1ccccc1)c1ccc(-c2ccc(Br)cn2)cc1Cl.
What is the InChIKey of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine?
The InChIKey is JHDWUIDKJJLTBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrClNO2S/c18-13-7-8-16(20-11-13)12-6-9-17(15(19)10-12)23(21,22)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine?
2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine has a molecular weight of 408.70 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)-3-chlorophenyl]-5-bromopyridine is sourced from PubChem (CID 66582460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).