[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium

C16H28BrN2O2S+ — CID 8716847

IUPAC[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H27BrN2O2S/c1-5-19(6-2)11-7-8-14(4)18-22(20,21)15-9-10-16(17)13(3)12-15/h9-10,12,14,18H,5-8,11H2,1-4H3/p+1/t14-/m1/s1
InChIKeyVWUZCQCREJOHRB-CQSZACIVSA-O
MW392.38 g/mol
LogP2.13
Rot. Bonds9

About [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium

[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium (PubChem CID 8716847) has the molecular formula C16H28BrN2O2S+ and a molecular weight of 392.38 g/mol. Its IUPAC name is [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium.

Molecular Properties

Compound Name[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
PubChem CID8716847
Molecular FormulaC16H28BrN2O2S+
Molecular Weight392.38 g/mol
Exact Mass391.10
IUPAC Name[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium
SMILESCC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1
InChIInChI=1S/C16H27BrN2O2S/c1-5-19(6-2)11-7-8-14(4)18-22(20,21)15-9-10-16(17)13(3)12-15/h9-10,12,14,18H,5-8,11H2,1-4H3/p+1/t14-/m1/s1
InChIKeyVWUZCQCREJOHRB-CQSZACIVSA-O
XLogP2.13
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl-[(4S)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987249
diethyl-[(4R)-4-[(4-methoxyphenyl)sulfonylamino]pentyl]azanium
CID 7987247
[(4S)-4-[(4-cyanophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8000368
[(4S)-4-[(4-acetamidophenyl)sulfonylamino]pentyl]-diethylazanium
CID 8716813
3-bromo-N-butan-2-yl-4-methylbenzenesulfonamide
CID 67008794
3-[[(2R)-5-(diethylazaniumyl)pentan-2-yl]sulfamoyl]-4,5-dimethylbenzoate
CID 7516518
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
4-bromo-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide
CID 42998830
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-bromo-3-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 42998950
4-bromo-N-[1-(2-bromophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60639517
(2S)-2-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 61156389

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium?
The IUPAC name of [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium (CID 8716847) is [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium.
What is the SMILES notation for [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium?
The canonical SMILES for [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium is CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C)c1.
What is the InChIKey of [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium?
The InChIKey is VWUZCQCREJOHRB-CQSZACIVSA-O. The full InChI is InChI=1S/C16H27BrN2O2S/c1-5-19(6-2)11-7-8-14(4)18-22(20,21)15-9-10-16(17)13(3)12-15/h9-10,12,14,18H,5-8,11H2,1-4H3/p+1/t14-/m1/s1.
What are the key properties of [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium?
[(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium has a molecular weight of 392.38 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[(4-bromo-3-methylphenyl)sulfonylamino]pentyl]-diethylazanium is sourced from PubChem (CID 8716847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).