5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide

C14H14BrN3O2S — CID 57267518

IUPAC5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CCS(=O)(=O)c2ccccc2Br)cn1
InChIInChI=1S/C14H14BrN3O2S/c15-11-3-1-2-4-13(11)21(19,20)8-7-10-5-6-12(14(16)17)18-9-10/h1-6,9H,7-8H2,(H3,16,17)
InChIKeyZVTXVLGYLZYCKX-UHFFFAOYSA-N
MW368.26 g/mol
LogP2.14
Rot. Bonds5

About 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide

5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide (PubChem CID 57267518) has the molecular formula C14H14BrN3O2S and a molecular weight of 368.26 g/mol. Its IUPAC name is 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide
PubChem CID57267518
Molecular FormulaC14H14BrN3O2S
Molecular Weight368.26 g/mol
Exact Mass367.00
IUPAC Name5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(CCS(=O)(=O)c2ccccc2Br)cn1
InChIInChI=1S/C14H14BrN3O2S/c15-11-3-1-2-4-13(11)21(19,20)8-7-10-5-6-12(14(16)17)18-9-10/h1-6,9H,7-8H2,(H3,16,17)
InChIKeyZVTXVLGYLZYCKX-UHFFFAOYSA-N
XLogP2.14
TPSA96.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide?
The IUPAC name of 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide (CID 57267518) is 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide?
The canonical SMILES for 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(CCS(=O)(=O)c2ccccc2Br)cn1.
What is the InChIKey of 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide?
The InChIKey is ZVTXVLGYLZYCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2S/c15-11-3-1-2-4-13(11)21(19,20)8-7-10-5-6-12(14(16)17)18-9-10/h1-6,9H,7-8H2,(H3,16,17).
What are the key properties of 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide?
5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide has a molecular weight of 368.26 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromophenyl)sulfonylethyl]pyridine-2-carboximidamide is sourced from PubChem (CID 57267518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).