methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate

C10H11BrClNO5S — CID 43405405

IUPACmethyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO5S/c1-18-10(15)8(5-14)13-19(16,17)9-3-2-6(11)4-7(9)12/h2-4,8,13-14H,5H2,1H3
InChIKeyRORAPAXXQCPBOG-UHFFFAOYSA-N
MW372.62 g/mol
LogP0.91
Rot. Bonds5

About methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 43405405) has the molecular formula C10H11BrClNO5S and a molecular weight of 372.62 g/mol. Its IUPAC name is methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
PubChem CID43405405
Molecular FormulaC10H11BrClNO5S
Molecular Weight372.62 g/mol
Exact Mass370.92
IUPAC Namemethyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1ccc(Br)cc1Cl
InChIInChI=1S/C10H11BrClNO5S/c1-18-10(15)8(5-14)13-19(16,17)9-3-2-6(11)4-7(9)12/h2-4,8,13-14H,5H2,1H3
InChIKeyRORAPAXXQCPBOG-UHFFFAOYSA-N
XLogP0.91
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate 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

4-bromo-2-chloro-N-(1,3-dihydroxypropan-2-yl)benzenesulfonamide
CID 65313988
methyl 2-[(5-bromo-2-chloro-3-pyridinyl)sulfonylamino]-3-hydroxypropanoate
CID 61299485
4-bromo-2-chloro-N-(1-hydroxybutan-2-yl)benzenesulfonamide
CID 43501727
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
4-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-oxobutanoic acid
CID 43084164
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
N-(1-aminopropan-2-yl)-4-bromo-2-chlorobenzenesulfonamide
CID 63733223
2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 43084117
4-bromo-N-butan-2-yl-2-chlorobenzenesulfonamide
CID 42997510
methyl 2-[(5-bromo-2-chlorobenzoyl)amino]-3-hydroxypropanoate
CID 43405671

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate (CID 43405405) is methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate is COC(=O)C(CO)NS(=O)(=O)c1ccc(Br)cc1Cl.
What is the InChIKey of methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is RORAPAXXQCPBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO5S/c1-18-10(15)8(5-14)13-19(16,17)9-3-2-6(11)4-7(9)12/h2-4,8,13-14H,5H2,1H3.
What are the key properties of methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 372.62 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 43405405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).