3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate

C15H14NO5S- — CID 22602745

IUPAC3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESO=C([O-])CC(NS(=O)(=O)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H15NO5S/c17-12-7-4-8-13(9-12)22(20,21)16-14(10-15(18)19)11-5-2-1-3-6-11/h1-9,14,16-17H,10H2,(H,18,19)/p-1
InChIKeyUFQJTGIWEOJDGM-UHFFFAOYSA-M
MW320.35 g/mol
LogP0.55
Rot. Bonds6

About 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate

3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate (PubChem CID 22602745) has the molecular formula C15H14NO5S- and a molecular weight of 320.35 g/mol. Its IUPAC name is 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate.

Molecular Properties

Compound Name3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate
PubChem CID22602745
Molecular FormulaC15H14NO5S-
Molecular Weight320.35 g/mol
Exact Mass320.06
IUPAC Name3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate
SMILESO=C([O-])CC(NS(=O)(=O)c1cccc(O)c1)c1ccccc1
InChIInChI=1S/C15H15NO5S/c17-12-7-4-8-13(9-12)22(20,21)16-14(10-15(18)19)11-5-2-1-3-6-11/h1-9,14,16-17H,10H2,(H,18,19)/p-1
InChIKeyUFQJTGIWEOJDGM-UHFFFAOYSA-M
XLogP0.55
TPSA106.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,3-N-bis[(1S)-2-hydroxy-1-phenylethyl]benzene-1,3-disulfonamide
CID 101191621
(3R)-3-[[4-[(2R)-butan-2-yl]phenyl]sulfonylamino]-3-phenylpropanoate
CID 6972924
(3R)-3-[[3-[3-(carbamoylamino)phenyl]phenyl]sulfonylamino]-3-phenylpropanoic acid
CID 102023112
N-(2-hydroxy-1-phenylethyl)naphthalene-2-sulfonamide
CID 3557197
3,4-dichloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103825631
N-(2-hydroxy-1-phenylethyl)-3-methoxybenzenesulfonamide
CID 81265322
N-[(1S)-2-hydroxy-1-phenylethyl]-3-methoxybenzenesulfonamide
CID 107863541
3-cyano-N-[(1R)-2-hydroxy-1-phenylethyl]benzenesulfonamide
CID 103837026
(3R)-3-[(2-chloro-5-nitrophenyl)sulfonylamino]-3-phenylpropanoate
CID 7109158
3-(benzenesulfonamido)-3-(4-propan-2-ylphenyl)propanoic acid
CID 5188493
3-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-phenylpropanoic acid
CID 4663322
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CID 50740454

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate?
The IUPAC name of 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate (CID 22602745) is 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate.
What is the SMILES notation for 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate?
The canonical SMILES for 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate is O=C([O-])CC(NS(=O)(=O)c1cccc(O)c1)c1ccccc1.
What is the InChIKey of 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate?
The InChIKey is UFQJTGIWEOJDGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO5S/c17-12-7-4-8-13(9-12)22(20,21)16-14(10-15(18)19)11-5-2-1-3-6-11/h1-9,14,16-17H,10H2,(H,18,19)/p-1.
What are the key properties of 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate?
3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate has a molecular weight of 320.35 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenyl)sulfonylamino]-3-phenylpropanoate is sourced from PubChem (CID 22602745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).