(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide

C12H18BrNO3S — CID 97317324

IUPAC(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide
SMILESCOC[C@H](C)S(=O)(=O)NCCc1ccccc1Br
InChIInChI=1S/C12H18BrNO3S/c1-10(9-17-2)18(15,16)14-8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyXXFVAPCCRYZLOB-JTQLQIEISA-N
MW336.25 g/mol
LogP1.95
Rot. Bonds7

About (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide

(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide (PubChem CID 97317324) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide
PubChem CID97317324
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide
SMILESCOC[C@H](C)S(=O)(=O)NCCc1ccccc1Br
InChIInChI=1S/C12H18BrNO3S/c1-10(9-17-2)18(15,16)14-8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3/t10-/m0/s1
InChIKeyXXFVAPCCRYZLOB-JTQLQIEISA-N
XLogP1.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenyl)ethyl]propane-2-sulfonamide
CID 48945854
1-bromo-2-(2-methoxyethyl)benzene
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4-(2-bromophenyl)-N-ethyl-1-methoxybutan-2-amine
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N-[2-(2-bromophenyl)ethyl]nitrous amide
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3-(2-bromophenyl)propyl methanesulfonate
CID 15364879
N-[2-(2-bromophenyl)ethyl]-N'-propan-2-ylethane-1,2-diamine
CID 115206611
2-bromo-N-(3-bromo-4-methoxybutyl)benzenesulfonamide
CID 106245635
2-amino-N-[2-(2-hydroxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120986590
propan-2-yl N-[(2-bromophenyl)methylsulfamoyl]carbamate
CID 114463811

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide?
The IUPAC name of (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide (CID 97317324) is (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide.
What is the SMILES notation for (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide?
The canonical SMILES for (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide is COC[C@H](C)S(=O)(=O)NCCc1ccccc1Br.
What is the InChIKey of (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide?
The InChIKey is XXFVAPCCRYZLOB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-10(9-17-2)18(15,16)14-8-7-11-5-3-4-6-12(11)13/h3-6,10,14H,7-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide?
(2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide has a molecular weight of 336.25 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2-bromophenyl)ethyl]-1-methoxypropane-2-sulfonamide is sourced from PubChem (CID 97317324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).