2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide

C10H15BrN2O2S — CID 43551890

IUPAC2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-8(13-6-7-16(12,14)15)9-4-2-3-5-10(9)11/h2-5,8,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyVZQPMDNVQYDORV-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.39
Rot. Bonds5

About 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide

2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide (PubChem CID 43551890) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide.

Molecular Properties

Compound Name2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
PubChem CID43551890
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
SMILESCC(NCCS(N)(=O)=O)c1ccccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-8(13-6-7-16(12,14)15)9-4-2-3-5-10(9)11/h2-5,8,13H,6-7H2,1H3,(H2,12,14,15)
InChIKeyVZQPMDNVQYDORV-UHFFFAOYSA-N
XLogP1.39
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-bromophenyl)-N-(2-tert-butylsulfonylethyl)ethanamine
CID 106724120
3-[1-(2-bromophenyl)ethylamino]-N-methylpropane-1-sulfonamide
CID 75442618
N-[(1R)-1-(2-bromophenyl)ethyl]but-3-yn-1-amine
CID 81383342
3-[[(1S)-1-(2-chlorophenyl)ethyl]amino]propane-1-sulfonamide
CID 94036457
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
CID 103912645
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylbut-3-en-1-amine
CID 104926848
N-[1-(2-bromophenyl)ethyl]-7-methyloctan-1-amine
CID 43103321
3-[[(1S)-1-(2-bromophenyl)ethyl]amino]-N-propan-2-ylpropanamide
CID 81383684
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide?
The IUPAC name of 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide (CID 43551890) is 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide.
What is the SMILES notation for 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide?
The canonical SMILES for 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide is CC(NCCS(N)(=O)=O)c1ccccc1Br.
What is the InChIKey of 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide?
The InChIKey is VZQPMDNVQYDORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-8(13-6-7-16(12,14)15)9-4-2-3-5-10(9)11/h2-5,8,13H,6-7H2,1H3,(H2,12,14,15).
What are the key properties of 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide?
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide has a molecular weight of 307.21 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide is sourced from PubChem (CID 43551890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).