methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate

C10H10BrF2NO4S — CID 61141689

IUPACmethyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO4S/c1-5(10(15)18-2)14-19(16,17)9-7(11)3-6(12)4-8(9)13/h3-5,14H,1-2H3/t5-/m0/s1
InChIKeyRGGGQOLTIGVKFH-YFKPBYRVSA-N
MW358.16 g/mol
LogP1.57
Rot. Bonds4

About methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate

methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate (PubChem CID 61141689) has the molecular formula C10H10BrF2NO4S and a molecular weight of 358.16 g/mol. Its IUPAC name is methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
PubChem CID61141689
Molecular FormulaC10H10BrF2NO4S
Molecular Weight358.16 g/mol
Exact Mass356.95
IUPAC Namemethyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
SMILESCOC(=O)[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1Br
InChIInChI=1S/C10H10BrF2NO4S/c1-5(10(15)18-2)14-19(16,17)9-7(11)3-6(12)4-8(9)13/h3-5,14H,1-2H3/t5-/m0/s1
InChIKeyRGGGQOLTIGVKFH-YFKPBYRVSA-N
XLogP1.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.16
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[(4-amino-2,6-dibromophenyl)sulfonylamino]propanoate
CID 61496754
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-3-methylbutanoic acid
CID 43237791
methyl 2-[(2-amino-5-bromo-4-fluorophenyl)sulfonylamino]propanoate
CID 106491644
methyl (2R)-2-[(2,6-difluorophenyl)sulfonylamino]propanoate
CID 113257628
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]ethyl carbamate
CID 83203648
methyl 3-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate
CID 60639552
ethyl 2-[(4-fluoro-2,6-dimethylphenyl)sulfonylamino]propanoate
CID 107327014
methyl 2-[(2,5-dibromo-4-methylphenyl)sulfonylamino]propanoate
CID 81327925
2-bromo-4,6-difluoro-N',N'-dimethylbenzenesulfonohydrazide
CID 83022882
methyl 2-[(5-amino-2-bromophenyl)sulfonylamino]propanoate
CID 65206495
methyl 2-[(3-bromo-4-methoxyphenyl)sulfonylamino]propanoate
CID 55029414

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
The IUPAC name of methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate (CID 61141689) is methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate is COC(=O)[C@H](C)NS(=O)(=O)c1c(F)cc(F)cc1Br.
What is the InChIKey of methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
The InChIKey is RGGGQOLTIGVKFH-YFKPBYRVSA-N. The full InChI is InChI=1S/C10H10BrF2NO4S/c1-5(10(15)18-2)14-19(16,17)9-7(11)3-6(12)4-8(9)13/h3-5,14H,1-2H3/t5-/m0/s1.
What are the key properties of methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate?
methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate has a molecular weight of 358.16 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 61141689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).