methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate

C13H15BrClNO4S — CID 103343259

IUPACmethyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H15BrClNO4S/c1-20-13(17)9-3-2-4-12(9)21(18,19)16-11-7-8(15)5-6-10(11)14/h5-7,9,12,16H,2-4H2,1H3
InChIKeyMHZXNESBCMFWJU-UHFFFAOYSA-N
MW396.69 g/mol
LogP3.19
Rot. Bonds4

About methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate

methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate (PubChem CID 103343259) has the molecular formula C13H15BrClNO4S and a molecular weight of 396.69 g/mol. Its IUPAC name is methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
PubChem CID103343259
Molecular FormulaC13H15BrClNO4S
Molecular Weight396.69 g/mol
Exact Mass394.96
IUPAC Namemethyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1CCCC1S(=O)(=O)Nc1cc(Cl)ccc1Br
InChIInChI=1S/C13H15BrClNO4S/c1-20-13(17)9-3-2-4-12(9)21(18,19)16-11-7-8(15)5-6-10(11)14/h5-7,9,12,16H,2-4H2,1H3
InChIKeyMHZXNESBCMFWJU-UHFFFAOYSA-N
XLogP3.19
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.69
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(5-chloro-2-methylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342269
methyl 2-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342312
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
methyl 2-[(6-chloro-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103343319
methyl 2-[(5-bromo-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342296
methyl 2-(pyridin-4-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103342142
N-(2-bromo-5-chlorophenyl)piperidine-3-sulfonamide
CID 81280209
methyl 2-[(4-methylsulfanylphenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342250
methyl 2-(thiophen-3-ylsulfamoyl)cyclopentane-1-carboxylate
CID 103343173
methyl 2-[(5-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342272
methyl 2-[(6-methyl-2-pyridinyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342271
methyl 2-chlorosulfonylcyclopentane-1-carboxylate
CID 83853182

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate (CID 103343259) is methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate is COC(=O)C1CCCC1S(=O)(=O)Nc1cc(Cl)ccc1Br.
What is the InChIKey of methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
The InChIKey is MHZXNESBCMFWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClNO4S/c1-20-13(17)9-3-2-4-12(9)21(18,19)16-11-7-8(15)5-6-10(11)14/h5-7,9,12,16H,2-4H2,1H3.
What are the key properties of methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate?
methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate has a molecular weight of 396.69 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-bromo-5-chlorophenyl)sulfamoyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 103343259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).