2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide

C10H15BrN2O2S — CID 103912645

IUPAC2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
SMILESC[C@@H](NCCS(N)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2O2S/c1-8(13-6-7-16(12,14)15)9-2-4-10(11)5-3-9/h2-5,8,13H,6-7H2,1H3,(H2,12,14,15)/t8-/m1/s1
InChIKeyNKZLCTNPOMYXHU-MRVPVSSYSA-N
MW307.21 g/mol
LogP1.39
Rot. Bonds5

About 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide

2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide (PubChem CID 103912645) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
PubChem CID103912645
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide
SMILESC[C@@H](NCCS(N)(=O)=O)c1ccc(Br)cc1
InChIInChI=1S/C10H15BrN2O2S/c1-8(13-6-7-16(12,14)15)9-2-4-10(11)5-3-9/h2-5,8,13H,6-7H2,1H3,(H2,12,14,15)/t8-/m1/s1
InChIKeyNKZLCTNPOMYXHU-MRVPVSSYSA-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

2-[1-(3,5-dihydroxyphenyl)ethylamino]ethanesulfonamide
CID 107705457
N-[1-(4-bromophenyl)ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62636249
N-[2-(4-bromophenyl)sulfonylethyl]-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 42913850
2-[1-(2-bromophenyl)ethylamino]ethanesulfonamide
CID 43551890
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]propanamide
CID 81359953
3-[1-(2-sulfamoylethylamino)ethyl]benzenesulfonamide
CID 43777275
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
N-[(1R)-1-(4-bromophenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 30111376
(1S)-1-(4-bromophenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 104863352
1-(4-bromophenyl)-N-(2-propoxyethyl)ethanamine
CID 106451818
N-[(1S)-1-(4-bromophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 81359086
N-[(1R)-1-(4-bromophenyl)ethyl]nonan-1-amine
CID 81359555

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide?
The IUPAC name of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide (CID 103912645) is 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide is C[C@@H](NCCS(N)(=O)=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide?
The InChIKey is NKZLCTNPOMYXHU-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-8(13-6-7-16(12,14)15)9-2-4-10(11)5-3-9/h2-5,8,13H,6-7H2,1H3,(H2,12,14,15)/t8-/m1/s1.
What are the key properties of 2-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide?
2-[[(1R)-1-(4-bromophenyl)ethyl]amino]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-[[(1R)-1-(4-bromophenyl)ethyl]amino]ethanesulfonamide is sourced from PubChem (CID 103912645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).