N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide

C8H12BrN3O2S — CID 104776803

IUPACN-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccncc1Br
InChIInChI=1S/C8H12BrN3O2S/c1-15(13,14)12-5-4-11-8-2-3-10-6-7(8)9/h2-3,6,12H,4-5H2,1H3,(H,10,11)
InChIKeyMKKVJBPCWNNIKN-UHFFFAOYSA-N
MW294.17 g/mol
LogP0.81
Rot. Bonds5

About N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide

N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide (PubChem CID 104776803) has the molecular formula C8H12BrN3O2S and a molecular weight of 294.17 g/mol. Its IUPAC name is N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
PubChem CID104776803
Molecular FormulaC8H12BrN3O2S
Molecular Weight294.17 g/mol
Exact Mass292.98
IUPAC NameN-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1ccncc1Br
InChIInChI=1S/C8H12BrN3O2S/c1-15(13,14)12-5-4-11-8-2-3-10-6-7(8)9/h2-3,6,12H,4-5H2,1H3,(H,10,11)
InChIKeyMKKVJBPCWNNIKN-UHFFFAOYSA-N
XLogP0.81
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-bromo-4-pyridinyl)propane-1,3-diamine
CID 104776647
3-[2-(methanesulfonamido)ethylamino]pyridine-4-carbothioamide
CID 114288202
N'-(3-bromo-4-pyridinyl)butane-1,4-diamine
CID 104776649
3-bromo-N-[(4-methylsulfonylphenyl)methyl]pyridin-4-amine
CID 104776984
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
3-[(3-bromo-4-pyridinyl)amino]propan-1-ol
CID 104776769
N-[2-[(5-nitroisoquinolin-8-yl)amino]ethyl]methanesulfonamide
CID 103141336
N-[2-[(3-bromo-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 61373352
3-bromo-4-[2-(methanesulfonamido)ethylamino]benzoic acid
CID 82801190
4-(ethylamino)-N-[2-(methanesulfonamido)ethyl]pyridine-3-carboxamide
CID 81242784
4-(ethylamino)-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide
CID 106342226
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]methanesulfonamide
CID 114385927

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide (CID 104776803) is N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1ccncc1Br.
What is the InChIKey of N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide?
The InChIKey is MKKVJBPCWNNIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrN3O2S/c1-15(13,14)12-5-4-11-8-2-3-10-6-7(8)9/h2-3,6,12H,4-5H2,1H3,(H,10,11).
What are the key properties of N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide?
N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide has a molecular weight of 294.17 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-bromo-4-pyridinyl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 104776803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).