2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide

C15H25BrN2O2S — CID 106032235

IUPAC2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCNCc1cc(C)c(Br)c(S(=O)(=O)NC(CC)CC)c1
InChIInChI=1S/C15H25BrN2O2S/c1-5-13(6-2)18-21(19,20)14-9-12(10-17-7-3)8-11(4)15(14)16/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyFMYRLSATSVWCFC-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.33
Rot. Bonds8

About 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide

2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide (PubChem CID 106032235) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide
PubChem CID106032235
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC Name2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide
SMILESCCNCc1cc(C)c(Br)c(S(=O)(=O)NC(CC)CC)c1
InChIInChI=1S/C15H25BrN2O2S/c1-5-13(6-2)18-21(19,20)14-9-12(10-17-7-3)8-11(4)15(14)16/h8-9,13,17-18H,5-7,10H2,1-4H3
InChIKeyFMYRLSATSVWCFC-UHFFFAOYSA-N
XLogP3.33
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(ethylaminomethyl)-3-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030105
2-bromo-5-(ethylaminomethyl)-3-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031579
2-bromo-3-methyl-N-propan-2-yl-5-(propylaminomethyl)benzenesulfonamide
CID 114364335
2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-propan-2-ylbenzenesulfonamide
CID 114363935
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentylbenzenesulfonamide
CID 106058377
2-bromo-N-(cyclobutylmethyl)-5-(ethylaminomethyl)-3-methylbenzenesulfonamide
CID 106024958
5-(aminomethyl)-2-bromo-N-(3-ethylpentan-2-yl)-3-methylbenzenesulfonamide
CID 106063379
2-bromo-5-(ethylaminomethyl)-N,3-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114365770
5-(ethylaminomethyl)-4-methyl-N-pentan-3-ylthiophene-2-sulfonamide
CID 106031981
5-(ethylaminomethyl)-2-methyl-N-(2-methylpentan-3-yl)benzenesulfonamide
CID 106018838
2,5-dibromo-N-[(2S)-1-hydroxybutan-2-yl]-4-methylbenzenesulfonamide
CID 104981937
2-bromo-N-butan-2-yl-N,3-dimethyl-5-(methylaminomethyl)benzenesulfonamide
CID 114364120

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide (CID 106032235) is 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide is CCNCc1cc(C)c(Br)c(S(=O)(=O)NC(CC)CC)c1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is FMYRLSATSVWCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-5-13(6-2)18-21(19,20)14-9-12(10-17-7-3)8-11(4)15(14)16/h8-9,13,17-18H,5-7,10H2,1-4H3.
What are the key properties of 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide?
2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 377.35 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-3-methyl-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 106032235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).