N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide

C11H17BrN2O2S — CID 54973910

IUPACN-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2O2S/c1-2-13-7-8-17(15,16)14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3
InChIKeyIEDNESAJSBLVBF-UHFFFAOYSA-N
MW321.24 g/mol
LogP1.48
Rot. Bonds7

About N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide

N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide (PubChem CID 54973910) has the molecular formula C11H17BrN2O2S and a molecular weight of 321.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
PubChem CID54973910
Molecular FormulaC11H17BrN2O2S
Molecular Weight321.24 g/mol
Exact Mass320.02
IUPAC NameN-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
SMILESCCNCCS(=O)(=O)NCc1ccc(Br)cc1
InChIInChI=1S/C11H17BrN2O2S/c1-2-13-7-8-17(15,16)14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3
InChIKeyIEDNESAJSBLVBF-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

3-(ethylamino)-N-[(4-ethylphenyl)methyl]propane-1-sulfonamide
CID 106088955
N-[(2-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide
CID 54972142
N-[(4-bromophenyl)methyl]-4-chlorobutane-1-sulfonamide
CID 116815160
N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
CID 63665760
N-[(4-methoxyphenyl)methyl]-2-(propylamino)ethanesulfonamide
CID 106058738
2-(2-aminoethylamino)-N-[(4-methylphenyl)methyl]ethanesulfonamide
CID 102359293
methyl 4-[(4-bromophenyl)methylsulfamoyl]butanoate
CID 61457335
2-(ethylamino)-N-(1,2-oxazol-5-ylmethyl)ethanesulfonamide
CID 106419997
2-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)ethanesulfonamide
CID 81178467
2-(ethylamino)-N-[(1-methylpyrazol-3-yl)methyl]ethanesulfonamide
CID 82872869
N-(4-bromo-2-chlorophenyl)-2-(ethylamino)ethanesulfonamide
CID 54972468
2-(ethylamino)-N-hydroxyethanesulfonamide
CID 138681118

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide (CID 54973910) is N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide is CCNCCS(=O)(=O)NCc1ccc(Br)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
The InChIKey is IEDNESAJSBLVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O2S/c1-2-13-7-8-17(15,16)14-9-10-3-5-11(12)6-4-10/h3-6,13-14H,2,7-9H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide?
N-[(4-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-[(4-bromophenyl)methyl]-2-(ethylamino)ethanesulfonamide is sourced from PubChem (CID 54973910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).