N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide

C11H17BrN2O2S — CID 54972142

IUPACN-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-2-13-7-8-17(15,16)14-9-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyFBDMTIOWTFQGIW-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.48
Rot. Bonds7

About N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide

N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide (PubChem CID 54972142) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
PubChem CID54972142
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccccc1Br
InChIInChI=1S/C11H17BrN2O2S/c1-2-13-7-8-17(15,16)14-9-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3
InChIKeyFBDMTIOWTFQGIW-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.24
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromophenyl)methyl]-2-ethylsulfonylethanamine
CID 61401889
N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54973910
3-(ethylamino)-N-(naphthalen-1-ylmethyl)propane-1-sulfonamide
CID 106062043
methyl 4-[(2-bromophenyl)methylsulfamoyl]butanoate
CID 61457372
methyl 2-[(2-bromophenyl)methylsulfamoyl]acetate
CID 61414007
2-(ethylamino)-N-[2-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 106261839
2-[(2-cyclopropylphenyl)methylamino]-N-ethylethanesulfonamide
CID 103739342
2-(ethylamino)-N-(2-propylphenyl)ethanesulfonamide
CID 54972905
N-[(2-bromophenyl)methyl]-4-propylbenzenesulfonamide
CID 3772752
2-bromo-N-[(2-bromophenyl)methyl]benzenesulfonamide
CID 25146907
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(ethylamino)ethanesulfonamide
CID 104703172
methyl 2-[[2-(ethylsulfamoyl)ethylamino]methyl]benzoate
CID 103922739

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide (CID 54972142) is N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NCc1ccccc1Br.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
The InChIKey is FBDMTIOWTFQGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-2-13-7-8-17(15,16)14-9-10-5-3-4-6-11(10)12/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide has a molecular weight of 321.24 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54972142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).