[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

C16H20N3O4S+ — CID 9170013

IUPAC[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C16H19N3O4S/c17-24(22,23)14-8-4-7-13(9-14)19-16(21)11-18-10-15(20)12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21)(H2,17,22,23)/p+1/t15-/m0/s1
InChIKeyXGLYHJSFTUBTRL-HNNXBMFYSA-O
MW350.42 g/mol
LogP-0.43
Rot. Bonds7

About [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium

[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (PubChem CID 9170013) has the molecular formula C16H20N3O4S+ and a molecular weight of 350.42 g/mol. Its IUPAC name is [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
PubChem CID9170013
Molecular FormulaC16H20N3O4S+
Molecular Weight350.42 g/mol
Exact Mass350.12
IUPAC Name[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium
SMILESNS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@H](O)c2ccccc2)c1
InChIInChI=1S/C16H19N3O4S/c17-24(22,23)14-8-4-7-13(9-14)19-16(21)11-18-10-15(20)12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21)(H2,17,22,23)/p+1/t15-/m0/s1
InChIKeyXGLYHJSFTUBTRL-HNNXBMFYSA-O
XLogP-0.43
TPSA126.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

[2,2-dimethyl-3-[[2-oxo-2-(3-sulfamoylanilino)ethyl]azaniumyl]propyl]-dimethylazanium
CID 7853411
3-amino-N-(3-sulfamoylphenyl)-3-sulfanylidenepropanamide
CID 28942449
(2S)-2-[[(1R)-1-phenylethyl]amino]-N-(3-sulfamoylphenyl)propanamide
CID 41074647
2-(propan-2-ylamino)-N-(3-sulfamoylphenyl)acetamide
CID 60641008
4-hydroxy-N-(3-sulfamoylphenyl)butanamide
CID 79200940
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-[(2R)-2-hydroxy-2-phenylethyl]azanium
CID 2455381
[(1R)-2-methyl-1-phenylpropyl]-[2-(3-methylsulfonylanilino)-2-oxoethyl]azanium
CID 9133093
2,3-dihydroxy-3-(3-sulfamoylphenyl)propanoic acid
CID 170824386
2-pyridin-2-ylsulfanyl-N-(3-sulfamoylphenyl)acetamide
CID 3911051
3-[methyl-(4-phenylcyclohexyl)amino]-N-(3-sulfamoylphenyl)propanamide
CID 56525993
(2R)-3-hydroxy-2-[(3-sulfamoylphenyl)carbamoylamino]propanoic acid
CID 80750323
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The IUPAC name of [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium (CID 9170013) is [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium.
What is the SMILES notation for [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The canonical SMILES for [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is NS(=O)(=O)c1cccc(NC(=O)C[NH2+]C[C@H](O)c2ccccc2)c1.
What is the InChIKey of [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
The InChIKey is XGLYHJSFTUBTRL-HNNXBMFYSA-O. The full InChI is InChI=1S/C16H19N3O4S/c17-24(22,23)14-8-4-7-13(9-14)19-16(21)11-18-10-15(20)12-5-2-1-3-6-12/h1-9,15,18,20H,10-11H2,(H,19,21)(H2,17,22,23)/p+1/t15-/m0/s1.
What are the key properties of [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium?
[(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium has a molecular weight of 350.42 g/mol, XLogP of -0.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-hydroxy-2-phenylethyl]-[2-oxo-2-(3-sulfamoylanilino)ethyl]azanium is sourced from PubChem (CID 9170013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).