methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate

C16H17NO5S — CID 3447772

IUPACmethyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H17NO5S/c1-22-16(19)13-9-5-6-10-15(13)23(20,21)17-14(11-18)12-7-3-2-4-8-12/h2-10,14,17-18H,11H2,1H3
InChIKeyLBWRXCZRTGTQQV-UHFFFAOYSA-N
MW335.38 g/mol
LogP1.49
Rot. Bonds6

About methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate

methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate (PubChem CID 3447772) has the molecular formula C16H17NO5S and a molecular weight of 335.38 g/mol. Its IUPAC name is methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
PubChem CID3447772
Molecular FormulaC16H17NO5S
Molecular Weight335.38 g/mol
Exact Mass335.08
IUPAC Namemethyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NC(CO)c1ccccc1
InChIInChI=1S/C16H17NO5S/c1-22-16(19)13-9-5-6-10-15(13)23(20,21)17-14(11-18)12-7-3-2-4-8-12/h2-10,14,17-18H,11H2,1H3
InChIKeyLBWRXCZRTGTQQV-UHFFFAOYSA-N
XLogP1.49
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
CID 104933807
methyl 2-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]benzoate
CID 61247386
2-amino-N-(2-hydroxy-1-phenylethyl)benzenesulfonamide
CID 63182594
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
2,3-dichloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837084
3-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103825635
3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]-2-methylbenzenesulfonamide
CID 103837050
2-amino-N-[(1R)-2-hydroxy-1-phenylethyl]pyridine-3-sulfonamide
CID 107862017
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
methyl 2-[[[(1S)-2-hydroxy-1-phenylethyl]amino]methyl]benzoate
CID 103922980
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate?
The IUPAC name of methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate (CID 3447772) is methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate.
What is the SMILES notation for methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate?
The canonical SMILES for methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate is COC(=O)c1ccccc1S(=O)(=O)NC(CO)c1ccccc1.
What is the InChIKey of methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate?
The InChIKey is LBWRXCZRTGTQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5S/c1-22-16(19)13-9-5-6-10-15(13)23(20,21)17-14(11-18)12-7-3-2-4-8-12/h2-10,14,17-18H,11H2,1H3.
What are the key properties of methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate?
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate has a molecular weight of 335.38 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate is sourced from PubChem (CID 3447772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).