2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate

C15H14NO6S- — CID 54710151

IUPAC2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO6S/c1-2-22-11-4-6-12(7-5-11)23(20,21)16-10-3-8-14(17)13(9-10)15(18)19/h3-9,16-17H,2H2,1H3,(H,18,19)/p-1
InChIKeyBDXRLTTUPKKFML-UHFFFAOYSA-M
MW336.35 g/mol
LogP1.66
Rot. Bonds6

About 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate

2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate (PubChem CID 54710151) has the molecular formula C15H14NO6S- and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate.

Molecular Properties

Compound Name2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
PubChem CID54710151
Molecular FormulaC15H14NO6S-
Molecular Weight336.35 g/mol
Exact Mass336.05
IUPAC Name2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(C(=O)O)c2)cc1
InChIInChI=1S/C15H15NO6S/c1-2-22-11-4-6-12(7-5-11)23(20,21)16-10-3-8-14(17)13(9-10)15(18)19/h3-9,16-17H,2H2,1H3,(H,18,19)/p-1
InChIKeyBDXRLTTUPKKFML-UHFFFAOYSA-M
XLogP1.66
TPSA115.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
CID 54710152
2-[bis(2-methylpropyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 50766744
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid
CID 46291694
4-ethoxy-N-naphthalen-2-ylbenzenesulfonamide
CID 7938656
5-[(3-ethoxyphenyl)sulfonylamino]-2-methylbenzoic acid
CID 136540449
2-[benzyl(methyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055092
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
2-[benzyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53001970

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate?
The IUPAC name of 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate (CID 54710151) is 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate.
What is the SMILES notation for 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate?
The canonical SMILES for 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate is CCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(C(=O)O)c2)cc1.
What is the InChIKey of 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate?
The InChIKey is BDXRLTTUPKKFML-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H15NO6S/c1-2-22-11-4-6-12(7-5-11)23(20,21)16-10-3-8-14(17)13(9-10)15(18)19/h3-9,16-17H,2H2,1H3,(H,18,19)/p-1.
What are the key properties of 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate?
2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate has a molecular weight of 336.35 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate is sourced from PubChem (CID 54710151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).