3-(3-bromophenyl)sulfonylpyridine-2,6-diamine

C11H10BrN3O2S — CID 175089095

IUPAC3-(3-bromophenyl)sulfonylpyridine-2,6-diamine
SMILESNc1ccc(S(=O)(=O)c2cccc(Br)c2)c(N)n1
InChIInChI=1S/C11H10BrN3O2S/c12-7-2-1-3-8(6-7)18(16,17)9-4-5-10(13)15-11(9)14/h1-6H,(H4,13,14,15)
InChIKeyTXEMUXOZNPVJRG-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.84
Rot. Bonds2

About 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine

3-(3-bromophenyl)sulfonylpyridine-2,6-diamine (PubChem CID 175089095) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine.

Molecular Properties

Compound Name3-(3-bromophenyl)sulfonylpyridine-2,6-diamine
PubChem CID175089095
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name3-(3-bromophenyl)sulfonylpyridine-2,6-diamine
SMILESNc1ccc(S(=O)(=O)c2cccc(Br)c2)c(N)n1
InChIInChI=1S/C11H10BrN3O2S/c12-7-2-1-3-8(6-7)18(16,17)9-4-5-10(13)15-11(9)14/h1-6H,(H4,13,14,15)
InChIKeyTXEMUXOZNPVJRG-UHFFFAOYSA-N
XLogP1.84
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine?
The IUPAC name of 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine (CID 175089095) is 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine.
What is the SMILES notation for 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine?
The canonical SMILES for 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine is Nc1ccc(S(=O)(=O)c2cccc(Br)c2)c(N)n1.
What is the InChIKey of 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine?
The InChIKey is TXEMUXOZNPVJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-7-2-1-3-8(6-7)18(16,17)9-4-5-10(13)15-11(9)14/h1-6H,(H4,13,14,15).
What are the key properties of 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine?
3-(3-bromophenyl)sulfonylpyridine-2,6-diamine has a molecular weight of 328.19 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)sulfonylpyridine-2,6-diamine is sourced from PubChem (CID 175089095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).