N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide

C16H20BrN3O3S — CID 146306977

IUPACN-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(Br)cnc2N)cc(OC)c1C
InChIInChI=1S/C16H20BrN3O3S/c1-4-5-24(21,22)20-14-6-11(7-15(23-3)10(14)2)13-8-12(17)9-19-16(13)18/h6-9,20H,4-5H2,1-3H3,(H2,18,19)
InChIKeyFLKWOABVZKXOPH-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.56
Rot. Bonds6

About N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide

N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide (PubChem CID 146306977) has the molecular formula C16H20BrN3O3S and a molecular weight of 414.33 g/mol. Its IUPAC name is N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide
PubChem CID146306977
Molecular FormulaC16H20BrN3O3S
Molecular Weight414.33 g/mol
Exact Mass413.04
IUPAC NameN-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(-c2cc(Br)cnc2N)cc(OC)c1C
InChIInChI=1S/C16H20BrN3O3S/c1-4-5-24(21,22)20-14-6-11(7-15(23-3)10(14)2)13-8-12(17)9-19-16(13)18/h6-9,20H,4-5H2,1-3H3,(H2,18,19)
InChIKeyFLKWOABVZKXOPH-UHFFFAOYSA-N
XLogP3.56
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxy-4,5-dimethylphenyl)propane-1-sulfonamide
CID 110776836
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2,3-dimethylphenyl]propane-1-sulfonamide
CID 135348441
N-[3-[2-amino-5-(3-methylsulfonylphenyl)-3-pyridinyl]-5-methoxyphenyl]propane-1-sulfonamide
CID 135348482
N-[5-(2-aminopyrimidin-5-yl)-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 172631243
N-[5-[2-amino-5-(4-piperidin-4-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170409748
2-amino-5-bromo-N-(2,4-dimethoxyphenyl)pyridine-3-sulfonamide
CID 22515844
N-[5-[2-amino-5-[4-(1-methylpiperidin-4-yl)phenyl]-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170345964
N-[5-[2-amino-5-[3-(4-methylpiperazin-1-yl)prop-1-ynyl]-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 170346020
N-(2-amino-4-bromophenyl)propane-1-sulfonamide
CID 29008435
N-[5-[2-amino-5-(3-piperazin-1-ylphenyl)-3-pyridinyl]-3-fluoro-2-methoxyphenyl]propane-1-sulfonamide
CID 146306964
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
N-[5-[2-amino-5-(4-piperazin-1-ylphenyl)-3-pyridinyl]-2-methylphenyl]propane-1-sulfonamide
CID 146306976

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide?
The IUPAC name of N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide (CID 146306977) is N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide?
The canonical SMILES for N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(-c2cc(Br)cnc2N)cc(OC)c1C.
What is the InChIKey of N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide?
The InChIKey is FLKWOABVZKXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O3S/c1-4-5-24(21,22)20-14-6-11(7-15(23-3)10(14)2)13-8-12(17)9-19-16(13)18/h6-9,20H,4-5H2,1-3H3,(H2,18,19).
What are the key properties of N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide?
N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide has a molecular weight of 414.33 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-5-bromo-3-pyridinyl)-3-methoxy-2-methylphenyl]propane-1-sulfonamide is sourced from PubChem (CID 146306977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).