methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate

C13H13BrN2O4S — CID 116784844

IUPACmethyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H13BrN2O4S/c1-8(13(17)20-2)21(18,19)16-11-5-3-4-9-6-10(14)7-15-12(9)11/h3-8,16H,1-2H3
InChIKeyDHLVFEVVDLKRTM-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.30
Rot. Bonds4

About methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate

methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate (PubChem CID 116784844) has the molecular formula C13H13BrN2O4S and a molecular weight of 373.23 g/mol. Its IUPAC name is methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
PubChem CID116784844
Molecular FormulaC13H13BrN2O4S
Molecular Weight373.23 g/mol
Exact Mass371.98
IUPAC Namemethyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate
SMILESCOC(=O)C(C)S(=O)(=O)Nc1cccc2cc(Br)cnc12
InChIInChI=1S/C13H13BrN2O4S/c1-8(13(17)20-2)21(18,19)16-11-5-3-4-9-6-10(14)7-15-12(9)11/h3-8,16H,1-2H3
InChIKeyDHLVFEVVDLKRTM-UHFFFAOYSA-N
XLogP2.30
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]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

2-[(3-bromoquinolin-8-yl)sulfamoyl]butanethioamide
CID 116784591
N-(3-bromoquinolin-8-yl)-1-cyanopropane-1-sulfonamide
CID 116784566
N-(3-bromoquinolin-8-yl)-2-methoxyethanesulfonamide
CID 116784850
N-(3-bromoquinolin-8-yl)-2-propan-2-yloxyethanesulfonamide
CID 116784833
ethyl 3-[(3-bromoquinolin-8-yl)amino]butanoate
CID 116784151
methyl (E)-3-[(3-bromoquinolin-8-yl)amino]prop-2-enoate
CID 103267542
3-bromo-N-(propylsulfamoyl)quinolin-8-amine
CID 114808997
4-amino-N-(3-bromoquinolin-8-yl)-3-methylbutanamide
CID 116784378
N-(3-bromoquinolin-8-yl)-1-cyanomethanesulfonamide
CID 116784565
N-(3-bromoquinolin-8-yl)-2-carbamothioyl-3-methylbutanamide
CID 116784582
ethyl 2-[(3-bromoquinolin-8-yl)amino]pentanoate
CID 116784288
4-bromo-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]benzoic acid
CID 61458795

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate?
The IUPAC name of methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate (CID 116784844) is methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate.
What is the SMILES notation for methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate?
The canonical SMILES for methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate is COC(=O)C(C)S(=O)(=O)Nc1cccc2cc(Br)cnc12.
What is the InChIKey of methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate?
The InChIKey is DHLVFEVVDLKRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4S/c1-8(13(17)20-2)21(18,19)16-11-5-3-4-9-6-10(14)7-15-12(9)11/h3-8,16H,1-2H3.
What are the key properties of methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate?
methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate has a molecular weight of 373.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-bromoquinolin-8-yl)sulfamoyl]propanoate is sourced from PubChem (CID 116784844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).