methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate

C15H21NO4S — CID 102920549

IUPACmethyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C15H21NO4S/c1-11(12-7-3-4-8-12)16-21(18,19)14-10-6-5-9-13(14)15(17)20-2/h5-6,9-12,16H,3-4,7-8H2,1-2H3/t11-/m0/s1
InChIKeyRVVNUFWCEWXFRE-NSHDSACASA-N
MW311.40 g/mol
LogP2.33
Rot. Bonds5

About methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate

methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate (PubChem CID 102920549) has the molecular formula C15H21NO4S and a molecular weight of 311.40 g/mol. Its IUPAC name is methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
PubChem CID102920549
Molecular FormulaC15H21NO4S
Molecular Weight311.40 g/mol
Exact Mass311.12
IUPAC Namemethyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C1CCCC1
InChIInChI=1S/C15H21NO4S/c1-11(12-7-3-4-8-12)16-21(18,19)14-10-6-5-9-13(14)15(17)20-2/h5-6,9-12,16H,3-4,7-8H2,1-2H3/t11-/m0/s1
InChIKeyRVVNUFWCEWXFRE-NSHDSACASA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1R)-1-cyclopentylethyl]sulfamoyl]benzoate
CID 102920550
methyl 2-[(2-amino-1-cyclohexylethyl)sulfamoyl]benzoate;hydrochloride
CID 119983872
methyl 2-(cyclopentyloxysulfamoyl)benzoate
CID 83229069
methyl 2-(2-cyclopropylpropylsulfamoyl)benzoate
CID 103833526
methyl 3-[(2-amino-1-cyclopentylethyl)sulfamoyl]-2-methylbenzoate
CID 120585227
methyl 2-[(2-methylcyclohexyl)sulfamoyl]benzoate
CID 103600987
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
N-[(1S)-1-cyclopentylethyl]benzenesulfonamide
CID 81388674
N-(1-cyclopentylethyl)-2-(methylaminomethyl)benzenesulfonamide
CID 106066120
N-[(1R)-1-cycloheptylethyl]benzenesulfonamide
CID 81393099
methyl 2-[[[(1S)-1-cyclohexylethyl]amino]methyl]benzoate
CID 81386969

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate?
The IUPAC name of methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate (CID 102920549) is methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C1CCCC1.
What is the InChIKey of methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate?
The InChIKey is RVVNUFWCEWXFRE-NSHDSACASA-N. The full InChI is InChI=1S/C15H21NO4S/c1-11(12-7-3-4-8-12)16-21(18,19)14-10-6-5-9-13(14)15(17)20-2/h5-6,9-12,16H,3-4,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate?
methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate has a molecular weight of 311.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoate is sourced from PubChem (CID 102920549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).