5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide

C13H19BrClN3O2S — CID 63318055

IUPAC5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCN(CCNS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCC1
InChIInChI=1S/C13H19BrClN3O2S/c1-18(11-4-2-3-5-11)7-6-17-21(19,20)12-8-10(14)9-16-13(12)15/h8-9,11,17H,2-7H2,1H3
InChIKeyPWPKDZRAXPARFA-UHFFFAOYSA-N
MW396.74 g/mol
LogP2.65
Rot. Bonds6

About 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide

5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide (PubChem CID 63318055) has the molecular formula C13H19BrClN3O2S and a molecular weight of 396.74 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
PubChem CID63318055
Molecular FormulaC13H19BrClN3O2S
Molecular Weight396.74 g/mol
Exact Mass395.01
IUPAC Name5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
SMILESCN(CCNS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCC1
InChIInChI=1S/C13H19BrClN3O2S/c1-18(11-4-2-3-5-11)7-6-17-21(19,20)12-8-10(14)9-16-13(12)15/h8-9,11,17H,2-7H2,1H3
InChIKeyPWPKDZRAXPARFA-UHFFFAOYSA-N
XLogP2.65
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.74
LogP ≤ 52.65
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

5-bromo-2-chloro-N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 61061220
4-amino-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]benzenesulfonamide
CID 63314929
2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-4-sulfonamide
CID 63318006
2-bromo-N-[2-[cyclopentyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 63317024
5-bromo-2-chloro-N-(3-methylsulfonylpropyl)pyridine-3-sulfonamide
CID 61301034
5-bromo-2-chloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-sulfonamide
CID 63494942
5-bromo-2-chloro-N-[3-(cyclopropylmethoxy)propyl]pyridine-3-sulfonamide
CID 60779783
5-bromo-2-chloro-N-cyclopropyl-N-methylpyridine-3-sulfonamide
CID 61060638
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 63316665
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-hydroxybenzenesulfonamide
CID 81245872
5-bromo-2-chloro-N-(1-cyclobutylethyl)pyridine-3-sulfonamide
CID 115767086
3-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-N-methylpropanamide
CID 61059689

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide (CID 63318055) is 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide is CN(CCNS(=O)(=O)c1cc(Br)cnc1Cl)C1CCCC1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
The InChIKey is PWPKDZRAXPARFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrClN3O2S/c1-18(11-4-2-3-5-11)7-6-17-21(19,20)12-8-10(14)9-16-13(12)15/h8-9,11,17H,2-7H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide?
5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide has a molecular weight of 396.74 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-[cyclopentyl(methyl)amino]ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 63318055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).