(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid

C11H13BrFNO4S — CID 93331448

IUPAC(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H13BrFNO4S/c1-2-3-9(11(15)16)14-19(17,18)10-5-4-7(13)6-8(10)12/h4-6,9,14H,2-3H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyVGXYGFAXZVCOFQ-VIFPVBQESA-N
MW354.20 g/mol
LogP2.12
Rot. Bonds6

About (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid

(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid (PubChem CID 93331448) has the molecular formula C11H13BrFNO4S and a molecular weight of 354.20 g/mol. Its IUPAC name is (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
PubChem CID93331448
Molecular FormulaC11H13BrFNO4S
Molecular Weight354.20 g/mol
Exact Mass352.97
IUPAC Name(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H13BrFNO4S/c1-2-3-9(11(15)16)14-19(17,18)10-5-4-7(13)6-8(10)12/h4-6,9,14H,2-3H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyVGXYGFAXZVCOFQ-VIFPVBQESA-N
XLogP2.12
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 104906676
2-[(5-fluoro-2-methylphenyl)sulfonylamino]pentanoic acid
CID 43631259
(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
2-[(2-chloro-5-fluorophenyl)sulfonylamino]pentanoic acid
CID 104739176
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
(2S)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]hexanoic acid
CID 104934769
2-[[2-(difluoromethoxy)-5-fluorophenyl]sulfonylamino]pentanoic acid
CID 122101407
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
N-(1-aminopentan-2-yl)-2-bromo-4-fluorobenzenesulfonamide
CID 65193170
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244418
methyl (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 45479958
(2S)-2-[(2,4-difluorophenyl)sulfonylamino]pentanedioic acid
CID 61144131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid (CID 93331448) is (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid is CCC[C@H](NS(=O)(=O)c1ccc(F)cc1Br)C(=O)O.
What is the InChIKey of (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid?
The InChIKey is VGXYGFAXZVCOFQ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H13BrFNO4S/c1-2-3-9(11(15)16)14-19(17,18)10-5-4-7(13)6-8(10)12/h4-6,9,14H,2-3H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid?
(2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid has a molecular weight of 354.20 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-bromo-4-fluorophenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 93331448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).