ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride

C11H17ClN2O4S — CID 18664309

IUPACethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
SMILESCCOC(=O)[C@H](CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C11H16N2O4S.ClH/c1-2-17-11(14)10(8-12)13-18(15,16)9-6-4-3-5-7-9;/h3-7,10,13H,2,8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyLQGJPDVUACKKJF-PPHPATTJSA-N
MW308.79 g/mol
LogP0.28
Rot. Bonds6

About ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride

ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride (PubChem CID 18664309) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride.

Molecular Properties

Compound Nameethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
PubChem CID18664309
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Nameethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
SMILESCCOC(=O)[C@H](CN)NS(=O)(=O)c1ccccc1.Cl
InChIInChI=1S/C11H16N2O4S.ClH/c1-2-17-11(14)10(8-12)13-18(15,16)9-6-4-3-5-7-9;/h3-7,10,13H,2,8,12H2,1H3;1H/t10-;/m0./s1
InChIKeyLQGJPDVUACKKJF-PPHPATTJSA-N
XLogP0.28
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanoate
CID 5004126
ethyl 2-[(4-methoxyphenyl)sulfonylamino]-3-phenylpropanoate
CID 101017331
ethyl (2R,3S)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375482
ethyl (2S,3R)-2-(benzenesulfonamido)-3-hydroxy-3-phenylpropanoate
CID 7375481
ethyl (2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-phenylpropanoate
CID 7112317
ethyl 2-phenyl-2-[(4-phenylphenyl)sulfonylamino]acetate
CID 3703536
(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride
CID 141092431
3-amino-2-[(4-butoxyphenyl)sulfonylamino]propanoic acid
CID 54072667
ethyl (2S)-2-[[4-(aminomethyl)phenyl]sulfonylamino]-4-methylpentanoate
CID 54513375
3-amino-2-[(4-iodophenyl)sulfonylamino]propanoic acid;ethyl carbonochloridate
CID 174417184
(2S)-2-(benzenesulfonamido)butanoate
CID 6944962
N-(1-aminohexan-2-yl)benzenesulfonamide;hydrochloride
CID 119993034

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride?
The IUPAC name of ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride (CID 18664309) is ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride.
What is the SMILES notation for ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride?
The canonical SMILES for ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride is CCOC(=O)[C@H](CN)NS(=O)(=O)c1ccccc1.Cl.
What is the InChIKey of ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride?
The InChIKey is LQGJPDVUACKKJF-PPHPATTJSA-N. The full InChI is InChI=1S/C11H16N2O4S.ClH/c1-2-17-11(14)10(8-12)13-18(15,16)9-6-4-3-5-7-9;/h3-7,10,13H,2,8,12H2,1H3;1H/t10-;/m0./s1.
What are the key properties of ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride?
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 0.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride is sourced from PubChem (CID 18664309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).