N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide

C15H18BrN3O3S — CID 133452228

IUPACN-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide
SMILESCc1nc(NCCOc2ccc(NS(C)(=O)=O)cc2)ccc1Br
InChIInChI=1S/C15H18BrN3O3S/c1-11-14(16)7-8-15(18-11)17-9-10-22-13-5-3-12(4-6-13)19-23(2,20)21/h3-8,19H,9-10H2,1-2H3,(H,17,18)
InChIKeyXQEUASDQCZZDSY-UHFFFAOYSA-N
MW400.30 g/mol
LogP3.01
Rot. Bonds7

About N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide

N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide (PubChem CID 133452228) has the molecular formula C15H18BrN3O3S and a molecular weight of 400.30 g/mol. Its IUPAC name is N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide
PubChem CID133452228
Molecular FormulaC15H18BrN3O3S
Molecular Weight400.30 g/mol
Exact Mass399.03
IUPAC NameN-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide
SMILESCc1nc(NCCOc2ccc(NS(C)(=O)=O)cc2)ccc1Br
InChIInChI=1S/C15H18BrN3O3S/c1-11-14(16)7-8-15(18-11)17-9-10-22-13-5-3-12(4-6-13)19-23(2,20)21/h3-8,19H,9-10H2,1-2H3,(H,17,18)
InChIKeyXQEUASDQCZZDSY-UHFFFAOYSA-N
XLogP3.01
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[(6,7-dichloroquinoxalin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463157
N-[2-[4-(methanesulfonamido)phenoxy]ethyl]-2-(methylamino)acetamide
CID 120705717
N-[5-[2-(4-methoxyphenoxy)ethylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113029927
3-[4-(methanesulfonamido)phenoxy]propanamide
CID 61062457
N-(5-bromo-6-methyl-2-pyridinyl)-3-(methylamino)propane-1-sulfonamide
CID 106070390
N-[4-[2-[(3-cyanoimidazo[1,2-a]pyridin-2-yl)amino]ethoxy]phenyl]methanesulfonamide
CID 133463158
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
N-(4-prop-2-enoxyphenyl)methanesulfonamide
CID 15675894
(2R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]butan-2-ol
CID 126988382
N-[2-(4-fluorophenoxy)ethyl]-4-(methanesulfonamido)benzamide
CID 37360957
N-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanesulfonamide
CID 58195079
4-methyl-N-[2-(4-methylphenoxy)ethyl]aniline
CID 4072797

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide (CID 133452228) is N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide is Cc1nc(NCCOc2ccc(NS(C)(=O)=O)cc2)ccc1Br.
What is the InChIKey of N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide?
The InChIKey is XQEUASDQCZZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3S/c1-11-14(16)7-8-15(18-11)17-9-10-22-13-5-3-12(4-6-13)19-23(2,20)21/h3-8,19H,9-10H2,1-2H3,(H,17,18).
What are the key properties of N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide?
N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide has a molecular weight of 400.30 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5-bromo-6-methyl-2-pyridinyl)amino]ethoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 133452228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).