4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide

C13H13BrClN3O2S — CID 114835817

IUPAC4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C13H13BrClN3O2S/c14-12-7-10(15)8-18-13(12)17-6-5-9-1-3-11(4-2-9)21(16,19)20/h1-4,7-8H,5-6H2,(H,17,18)(H2,16,19,20)
InChIKeyANYOMWZHPFKGOD-UHFFFAOYSA-N
MW390.69 g/mol
LogP2.80
Rot. Bonds5

About 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide

4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide (PubChem CID 114835817) has the molecular formula C13H13BrClN3O2S and a molecular weight of 390.69 g/mol. Its IUPAC name is 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
PubChem CID114835817
Molecular FormulaC13H13BrClN3O2S
Molecular Weight390.69 g/mol
Exact Mass388.96
IUPAC Name4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNc2ncc(Cl)cc2Br)cc1
InChIInChI=1S/C13H13BrClN3O2S/c14-12-7-10(15)8-18-13(12)17-6-5-9-1-3-11(4-2-9)21(16,19)20/h1-4,7-8H,5-6H2,(H,17,18)(H2,16,19,20)
InChIKeyANYOMWZHPFKGOD-UHFFFAOYSA-N
XLogP2.80
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.69
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-N-[2-(4-fluorophenyl)ethyl]pyridin-2-amine
CID 114835604
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194577
3-bromo-5-chloro-N-(3-phenylpropyl)pyridin-2-amine
CID 114835697
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533
4-[2-[(6-bromopyrimidin-4-yl)amino]ethyl]benzenesulfonamide
CID 106194569
3-bromo-5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridin-2-amine
CID 114836017
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
4-[2-[[4-(3-chlorophenyl)-3-oxopyrazin-2-yl]amino]ethyl]benzenesulfonamide
CID 20941591
N-[4-(2-aminoethyl)phenyl]-3-bromo-5-chloropyridin-2-amine
CID 114838670
5-bromo-2-N-[2-(4-chlorophenyl)ethyl]pyridine-2,3-diamine
CID 61380799
4-[2-[[5-bromo-2-(4-methylsulfonylanilino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 142898984
4-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]benzenesulfonamide
CID 60620125

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide (CID 114835817) is 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNc2ncc(Cl)cc2Br)cc1.
What is the InChIKey of 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
The InChIKey is ANYOMWZHPFKGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3O2S/c14-12-7-10(15)8-18-13(12)17-6-5-9-1-3-11(4-2-9)21(16,19)20/h1-4,7-8H,5-6H2,(H,17,18)(H2,16,19,20).
What are the key properties of 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide?
4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide has a molecular weight of 390.69 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-bromo-5-chloro-2-pyridinyl)amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 114835817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).