4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide

C17H14BrN3O2S — CID 121165646

IUPAC4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O2S/c18-15-1-3-16(4-2-15)24(22,23)21-12-13-5-10-20-17(11-13)14-6-8-19-9-7-14/h1-11,21H,12H2
InChIKeyYQQLAQLTKNVEOS-UHFFFAOYSA-N
MW404.29 g/mol
LogP3.38
Rot. Bonds5

About 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide

4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 121165646) has the molecular formula C17H14BrN3O2S and a molecular weight of 404.29 g/mol. Its IUPAC name is 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID121165646
Molecular FormulaC17H14BrN3O2S
Molecular Weight404.29 g/mol
Exact Mass403.00
IUPAC Name4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrN3O2S/c18-15-1-3-16(4-2-15)24(22,23)21-12-13-5-10-20-17(11-13)14-6-8-19-9-7-14/h1-11,21H,12H2
InChIKeyYQQLAQLTKNVEOS-UHFFFAOYSA-N
XLogP3.38
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165638
4-bromo-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121166054
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 121018139
2,4,6-trimethyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165596
4-(2-phenylethynyl)-N-[(2-phenyl-4-pyridinyl)methyl]benzenesulfonamide
CID 90137222
4-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzene-1,4-disulfonamide
CID 121166056
N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 121165981
4-bromo-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzenesulfonamide
CID 55913754
5-bromo-N-(pyridin-4-ylmethyl)pyridine-2-sulfonamide
CID 119094857
4-(2,5-dioxopyrrolidin-1-yl)-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625724
3-amino-4-bromo-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 115328707
3-methyl-N-[(2-thiophen-3-yl-4-pyridinyl)methyl]benzenesulfonamide
CID 91625699

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide (CID 121165646) is 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccnc(-c2ccncc2)c1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is YQQLAQLTKNVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2S/c18-15-1-3-16(4-2-15)24(22,23)21-12-13-5-10-20-17(11-13)14-6-8-19-9-7-14/h1-11,21H,12H2.
What are the key properties of 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide?
4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 404.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 121165646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).