bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate

C14H13BrN2O4S — CID 174754378

IUPACbromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate
SMILESCS(=O)(=O)NC(C(=O)OBr)(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H13BrN2O4S/c1-22(19,20)17-14(13(18)21-15,11-6-3-2-4-7-11)12-8-5-9-16-10-12/h2-10,17H,1H3
InChIKeyVKHUEXQDDVAPQJ-UHFFFAOYSA-N
MW385.24 g/mol
LogP1.73
Rot. Bonds5

About bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate

bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate (PubChem CID 174754378) has the molecular formula C14H13BrN2O4S and a molecular weight of 385.24 g/mol. Its IUPAC name is bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate.

Molecular Properties

Compound Namebromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate
PubChem CID174754378
Molecular FormulaC14H13BrN2O4S
Molecular Weight385.24 g/mol
Exact Mass383.98
IUPAC Namebromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate
SMILESCS(=O)(=O)NC(C(=O)OBr)(c1ccccc1)c1cccnc1
InChIInChI=1S/C14H13BrN2O4S/c1-22(19,20)17-14(13(18)21-15,11-6-3-2-4-7-11)12-8-5-9-16-10-12/h2-10,17H,1H3
InChIKeyVKHUEXQDDVAPQJ-UHFFFAOYSA-N
XLogP1.73
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
2-(methylamino)-2-pyridin-3-ylpropanoic acid
CID 43753628
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
4-[(2-methyl-2-pyridin-3-ylpropyl)amino]-4-oxobutanoic acid
CID 115163778
[(2R)-1-hydroxy-3,3-dimethyl-2-phenyl-1,1-dipyridin-3-ylbutan-2-yl]carbamic acid
CID 57425667
N-(2-cyclohexylpropan-2-yl)methanesulfonamide;methane;2-pyridin-3-ylpropan-2-amine
CID 167707491
(3R)-3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 7200717
3-hydroxy-3-pyridin-3-ylbutan-2-one
CID 4912937
(1R)-N-methyl-1-phenyl-1-pyridin-3-ylethanamine
CID 135057119

Frequently Asked Questions

What is the IUPAC name of bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate?
The IUPAC name of bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate (CID 174754378) is bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate.
What is the SMILES notation for bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate?
The canonical SMILES for bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate is CS(=O)(=O)NC(C(=O)OBr)(c1ccccc1)c1cccnc1.
What is the InChIKey of bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate?
The InChIKey is VKHUEXQDDVAPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O4S/c1-22(19,20)17-14(13(18)21-15,11-6-3-2-4-7-11)12-8-5-9-16-10-12/h2-10,17H,1H3.
What are the key properties of bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate?
bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate has a molecular weight of 385.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bromo 2-(methanesulfonamido)-2-phenyl-2-pyridin-3-ylacetate is sourced from PubChem (CID 174754378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).