(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid

C11H12BrClN2O5S — CID 28829198

IUPAC(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C11H12BrClN2O5S/c12-6-1-3-9(7(13)5-6)21(19,20)15-8(11(17)18)2-4-10(14)16/h1,3,5,8,15H,2,4H2,(H2,14,16)(H,17,18)/t8-/m1/s1
InChIKeyRFMONTVMGRMKRY-MRVPVSSYSA-N
MW399.65 g/mol
LogP1.10
Rot. Bonds7

About (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 28829198) has the molecular formula C11H12BrClN2O5S and a molecular weight of 399.65 g/mol. Its IUPAC name is (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
PubChem CID28829198
Molecular FormulaC11H12BrClN2O5S
Molecular Weight399.65 g/mol
Exact Mass397.93
IUPAC Name(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O
InChIInChI=1S/C11H12BrClN2O5S/c12-6-1-3-9(7(13)5-6)21(19,20)15-8(11(17)18)2-4-10(14)16/h1,3,5,8,15H,2,4H2,(H2,14,16)(H,17,18)/t8-/m1/s1
InChIKeyRFMONTVMGRMKRY-MRVPVSSYSA-N
XLogP1.10
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.65
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
(2R)-5-amino-2-[(3,4-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935542
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
(2S)-2-[(2,5-dibromophenyl)sulfonylamino]pentanedioic acid
CID 61144002
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid (CID 28829198) is (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Cl)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is RFMONTVMGRMKRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrClN2O5S/c12-6-1-3-9(7(13)5-6)21(19,20)15-8(11(17)18)2-4-10(14)16/h1,3,5,8,15H,2,4H2,(H2,14,16)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 399.65 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 28829198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).