3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid

C11H14N2O6S — CID 66166438

IUPAC3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCC(O)C(=O)O
InChIInChI=1S/C11H14N2O6S/c14-9(11(16)17)6-12-10(15)7-13-20(18,19)8-4-2-1-3-5-8/h1-5,9,13-14H,6-7H2,(H,12,15)(H,16,17)
InChIKeyZXCTWHSGFGNOOO-UHFFFAOYSA-N
MW302.31 g/mol
LogP-1.47
Rot. Bonds7

About 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid

3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid (PubChem CID 66166438) has the molecular formula C11H14N2O6S and a molecular weight of 302.31 g/mol. Its IUPAC name is 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
PubChem CID66166438
Molecular FormulaC11H14N2O6S
Molecular Weight302.31 g/mol
Exact Mass302.06
IUPAC Name3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid
SMILESO=C(CNS(=O)(=O)c1ccccc1)NCC(O)C(=O)O
InChIInChI=1S/C11H14N2O6S/c14-9(11(16)17)6-12-10(15)7-13-20(18,19)8-4-2-1-3-5-8/h1-5,9,13-14H,6-7H2,(H,12,15)(H,16,17)
InChIKeyZXCTWHSGFGNOOO-UHFFFAOYSA-N
XLogP-1.47
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 5-1.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(benzenesulfonamido)acetyl]amino]-N-benzylacetamide
CID 5073873
2-(benzenesulfonamido)-N-[2-(2-hydroxyethoxy)ethyl]acetamide
CID 62499250
2-(benzenesulfonamido)-N-[2-(benzylsulfonylamino)ethyl]acetamide
CID 166212100
3-[(4-bromophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66168161
(2S)-2-hydroxy-3-(pyridin-3-ylsulfonylamino)propanoic acid
CID 104935920
2-(benzenesulfonamido)-N-(1H-pyrrol-2-ylmethyl)acetamide
CID 110446210
methyl 3-(benzenesulfonamido)-2-hydroxypropanoate
CID 103878768
2-[[2-(benzenesulfonamido)acetyl]amino]oxyacetic acid
CID 63914257
2-[(4-bromophenyl)sulfonylamino]-N-(2-methylpropyl)acetamide
CID 112990736
2-(benzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112992791
N-[2-[2-(2-bromopropanoyl)hydrazinyl]-2-oxoethyl]benzenesulfonamide
CID 5053878
benzhydryl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 4017007

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid (CID 66166438) is 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid is O=C(CNS(=O)(=O)c1ccccc1)NCC(O)C(=O)O.
What is the InChIKey of 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid?
The InChIKey is ZXCTWHSGFGNOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6S/c14-9(11(16)17)6-12-10(15)7-13-20(18,19)8-4-2-1-3-5-8/h1-5,9,13-14H,6-7H2,(H,12,15)(H,16,17).
What are the key properties of 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid?
3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid has a molecular weight of 302.31 g/mol, XLogP of -1.47, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(benzenesulfonamido)acetyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66166438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).