2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate

C15H13N2O6S- — CID 21149986

IUPAC2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate
SMILESO=C([O-])CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C15H14N2O6S/c18-10-5-7-11(8-6-10)24(22,23)17-13-4-2-1-3-12(13)15(21)16-9-14(19)20/h1-8,17-18H,9H2,(H,16,21)(H,19,20)/p-1
InChIKeyQBMYNMQQDCMRPR-UHFFFAOYSA-M
MW349.34 g/mol
LogP-0.33
Rot. Bonds6

About 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate

2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate (PubChem CID 21149986) has the molecular formula C15H13N2O6S- and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate
PubChem CID21149986
Molecular FormulaC15H13N2O6S-
Molecular Weight349.34 g/mol
Exact Mass349.05
IUPAC Name2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate
SMILESO=C([O-])CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C15H14N2O6S/c18-10-5-7-11(8-6-10)24(22,23)17-13-4-2-1-3-12(13)15(21)16-9-14(19)20/h1-8,17-18H,9H2,(H,16,21)(H,19,20)/p-1
InChIKeyQBMYNMQQDCMRPR-UHFFFAOYSA-M
XLogP-0.33
TPSA135.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]sulfamoyl]phenyl] 2,2-dimethylpropanoate
CID 10225728
2-(benzenesulfonamido)-N-benzylbenzamide
CID 1320833
N-[(4-methylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 2979882
sodium 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid
CID 22992413
4-methyl-N-[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzenesulfonamide
CID 4711775
2-[(4-bromophenyl)sulfonylamino]-N-(2-phenylethyl)benzamide
CID 2333846
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]sulfamoyl]benzoate
CID 8603467
N-(3-aminobutyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 119497804
2-[(4-bromophenyl)sulfonylamino]-N-[2-(dimethylamino)ethyl]benzamide
CID 2347642
N-(2-methoxyethyl)-2-[(4-propan-2-ylphenyl)sulfonylamino]benzamide
CID 31754216
2-(benzenesulfonamido)-N-(3-methoxypropyl)benzamide
CID 2967457

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate?
The IUPAC name of 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate (CID 21149986) is 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate.
What is the SMILES notation for 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate?
The canonical SMILES for 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate is O=C([O-])CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate?
The InChIKey is QBMYNMQQDCMRPR-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H14N2O6S/c18-10-5-7-11(8-6-10)24(22,23)17-13-4-2-1-3-12(13)15(21)16-9-14(19)20/h1-8,17-18H,9H2,(H,16,21)(H,19,20)/p-1.
What are the key properties of 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate?
2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate has a molecular weight of 349.34 g/mol, XLogP of -0.33, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-hydroxyphenyl)sulfonylamino]benzoyl]amino]acetate is sourced from PubChem (CID 21149986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).