methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate

C16H17ClN2O4S — CID 124687144

IUPACmethyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-23-16(20)13-8-7-12(9-14(13)17)24(21,22)19-10-15(18)11-5-3-2-4-6-11/h2-9,15,19H,10,18H2,1H3/t15-/m0/s1
InChIKeyBUYNDTQKHBGHNT-HNNXBMFYSA-N
MW368.84 g/mol
LogP2.10
Rot. Bonds6

About methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate

methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate (PubChem CID 124687144) has the molecular formula C16H17ClN2O4S and a molecular weight of 368.84 g/mol. Its IUPAC name is methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
PubChem CID124687144
Molecular FormulaC16H17ClN2O4S
Molecular Weight368.84 g/mol
Exact Mass368.06
IUPAC Namemethyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1Cl
InChIInChI=1S/C16H17ClN2O4S/c1-23-16(20)13-8-7-12(9-14(13)17)24(21,22)19-10-15(18)11-5-3-2-4-6-11/h2-9,15,19H,10,18H2,1H3/t15-/m0/s1
InChIKeyBUYNDTQKHBGHNT-HNNXBMFYSA-N
XLogP2.10
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate with MolForge

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Related Compounds

methyl 2-chloro-4-[[(2S)-2-(dimethylamino)-2-phenylethyl]sulfamoyl]benzoate
CID 124573264
methyl 2-chloro-4-[[(2S)-2-(1,3-thiazol-2-yl)propyl]sulfamoyl]benzoate
CID 124618800
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
methyl 2-chloro-4-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119043378
methyl 2-chloro-5-(phenylsulfamoyl)benzoate
CID 99702882
methyl 4-[(1-aminocyclohexyl)methylsulfamoyl]-2-chlorobenzoate
CID 119043375
3-chloro-4-methoxy-N-[(2S)-2-phenylpropyl]benzenesulfonamide
CID 37498470
N-(2-amino-2-phenylethyl)-2,3-dichlorobenzenesulfonamide
CID 43605705
N-(2-amino-2-phenylethyl)-6-chloro-5-methylpyridine-3-sulfonamide;hydrochloride
CID 84591500
N-(2-amino-2-phenylethyl)-4-(2-methylpropylsulfamoyl)benzamide;hydrochloride
CID 119528684
methyl 4-[(4-aminocyclohexyl)sulfamoyl]-2-chlorobenzoate;hydrochloride
CID 119043406
methyl 4-[[(2R)-1-aminohexan-2-yl]sulfamoyl]-2-chlorobenzoate
CID 124616613

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate?
The IUPAC name of methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate (CID 124687144) is methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate.
What is the SMILES notation for methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate?
The canonical SMILES for methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate is COC(=O)c1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1Cl.
What is the InChIKey of methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate?
The InChIKey is BUYNDTQKHBGHNT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17ClN2O4S/c1-23-16(20)13-8-7-12(9-14(13)17)24(21,22)19-10-15(18)11-5-3-2-4-6-11/h2-9,15,19H,10,18H2,1H3/t15-/m0/s1.
What are the key properties of methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate?
methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate has a molecular weight of 368.84 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2R)-2-amino-2-phenylethyl]sulfamoyl]-2-chlorobenzoate is sourced from PubChem (CID 124687144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).