N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide

C11H17BrN2O2S — CID 114231124

IUPACN-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CCN)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-3-14(7-6-13)17(15,16)11-5-4-9(2)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeySLROYUIRHKUEQY-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.73
Rot. Bonds5

About N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide

N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide (PubChem CID 114231124) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
PubChem CID114231124
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide
SMILESCCN(CCN)S(=O)(=O)c1ccc(C)cc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-3-14(7-6-13)17(15,16)11-5-4-9(2)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeySLROYUIRHKUEQY-UHFFFAOYSA-N
XLogP1.73
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-ethyl-N-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 54878608
N-(2-aminoethyl)-N-ethyl-2,4-dimethylbenzenesulfonamide
CID 28707755
2-bromo-N,N-bis(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 61217446
N-benzyl-2-bromo-N-ethyl-4-methylbenzenesulfonamide
CID 60731895
N-(2-aminoethyl)-N-butyl-2,4-dimethylbenzenesulfonamide
CID 63767520
2-bromo-N-(2-hydroxyethyl)-N,4-dimethylbenzenesulfonamide
CID 60962319
2-bromo-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzenesulfonamide
CID 46457629
2-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzenesulfonamide
CID 115755345
2-bromo-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 43574659
N-ethyl-2-fluoro-N-(3-hydroxypropyl)-5-methylbenzenesulfonamide
CID 115755454
2-(3-aminoprop-1-ynyl)-N-ethyl-4-methyl-N-propylbenzenesulfonamide
CID 60846237
N-(3-amino-4-methylpentyl)-2-bromo-N,4-dimethylbenzenesulfonamide;hydrochloride
CID 119992368

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide (CID 114231124) is N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide is CCN(CCN)S(=O)(=O)c1ccc(C)cc1Br.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
The InChIKey is SLROYUIRHKUEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-3-14(7-6-13)17(15,16)11-5-4-9(2)8-10(11)12/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide?
N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-N-ethyl-4-methylbenzenesulfonamide is sourced from PubChem (CID 114231124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).