N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide

C11H16BrNO3S — CID 95972881

IUPACN-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H](C)Oc1ccccc1Br
InChIInChI=1S/C11H16BrNO3S/c1-3-17(14,15)13-8-9(2)16-11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyQPTGVRDZTVHBEF-VIFPVBQESA-N
MW322.22 g/mol
LogP2.16
Rot. Bonds6

About N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide

N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide (PubChem CID 95972881) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide
PubChem CID95972881
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC NameN-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@H](C)Oc1ccccc1Br
InChIInChI=1S/C11H16BrNO3S/c1-3-17(14,15)13-8-9(2)16-11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1
InChIKeyQPTGVRDZTVHBEF-VIFPVBQESA-N
XLogP2.16
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-bromophenoxy)propyl]-2-methylbutan-2-amine
CID 62597428
4-(2-bromophenoxy)pentan-2-one
CID 64698957
2-amino-N-[2-(2-bromophenoxy)propyl]-3-methylpentanamide;hydrochloride
CID 119804711
(3S)-3-(2-bromophenoxy)butanoic acid
CID 71742862
3-amino-N-[2-(2-bromophenoxy)propyl]butanamide;hydrochloride
CID 119804713
1-[2-(2-bromophenoxy)propyl]-3-[2-(diethylsulfamoyl)ethyl]-2-methylguanidine
CID 111997639
1-bromo-2-[1-(2-bromophenoxy)propoxy]benzene
CID 69347469
(2S)-2-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119335617
3-amino-N-[2-(2-bromophenoxy)propyl]-3-phenylpropanamide
CID 119952093
1-[2-(2-bromophenoxy)propyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111968318
1-[2-(ethylsulfonylamino)ethyl]-2-methyl-3-[2-(2-methylphenoxy)propyl]guanidine;hydroiodide
CID 111686401
3-(2-bromophenoxy)butanethioamide
CID 82093583

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide?
The IUPAC name of N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide (CID 95972881) is N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide is CCS(=O)(=O)NC[C@H](C)Oc1ccccc1Br.
What is the InChIKey of N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide?
The InChIKey is QPTGVRDZTVHBEF-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-17(14,15)13-8-9(2)16-11-7-5-4-6-10(11)12/h4-7,9,13H,3,8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide?
N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide has a molecular weight of 322.22 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(2-bromophenoxy)propyl]ethanesulfonamide is sourced from PubChem (CID 95972881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).