5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide

C15H16BrClN2O3S — CID 4686096

IUPAC5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H16BrClN2O3S/c1-2-22-12-5-3-11(4-6-12)7-8-19-23(20,21)13-9-14(16)15(17)18-10-13/h3-6,9-10,19H,2,7-8H2,1H3
InChIKeyNJYJXTAYEDMLBL-UHFFFAOYSA-N
MW419.73 g/mol
LogP3.42
Rot. Bonds7

About 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide

5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide (PubChem CID 4686096) has the molecular formula C15H16BrClN2O3S and a molecular weight of 419.73 g/mol. Its IUPAC name is 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
PubChem CID4686096
Molecular FormulaC15H16BrClN2O3S
Molecular Weight419.73 g/mol
Exact Mass417.98
IUPAC Name5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
SMILESCCOc1ccc(CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1
InChIInChI=1S/C15H16BrClN2O3S/c1-2-22-12-5-3-11(4-6-12)7-8-19-23(20,21)13-9-14(16)15(17)18-10-13/h3-6,9-10,19H,2,7-8H2,1H3
InChIKeyNJYJXTAYEDMLBL-UHFFFAOYSA-N
XLogP3.42
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 2442104
N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 25044131
5-bromo-6-chloro-N-(3-propan-2-yloxypropyl)pyridine-3-sulfonamide
CID 5009141
N-[2-(4-ethoxyphenyl)ethyl]ethanesulfonamide
CID 110788129
5,6-dichloro-N-[2-(3-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 110295030
5-bromo-6-chloro-N-[(2,5-dichlorophenyl)methyl]pyridine-3-sulfonamide
CID 3838244
N-[3-[3-[(5-bromo-6-chloro-3-pyridinyl)sulfonylamino]propoxy]phenyl]acetamide
CID 3590285
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413
6-amino-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-sulfonamide
CID 62149396
4-chloro-N-[2-[4-[2-(ethylamino)ethoxy]phenyl]ethyl]benzenesulfonamide
CID 19388056
3-chloro-4-methoxy-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 1254752
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide (CID 4686096) is 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide is CCOc1ccc(CCNS(=O)(=O)c2cnc(Cl)c(Br)c2)cc1.
What is the InChIKey of 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
The InChIKey is NJYJXTAYEDMLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O3S/c1-2-22-12-5-3-11(4-6-12)7-8-19-23(20,21)13-9-14(16)15(17)18-10-13/h3-6,9-10,19H,2,7-8H2,1H3.
What are the key properties of 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide?
5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide has a molecular weight of 419.73 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-N-[2-(4-ethoxyphenyl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 4686096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).