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

C14H12NO6S- — CID 54710152

IUPAC2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
SMILESCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO6S/c1-21-10-3-5-11(6-4-10)22(19,20)15-9-2-7-13(16)12(8-9)14(17)18/h2-8,15-16H,1H3,(H,17,18)/p-1
InChIKeyMQKVIVPTKIHIAY-UHFFFAOYSA-M
MW322.32 g/mol
LogP1.27
Rot. Bonds5

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

2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate (PubChem CID 54710152) has the molecular formula C14H12NO6S- and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate.

Molecular Properties

Compound Name2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
PubChem CID54710152
Molecular FormulaC14H12NO6S-
Molecular Weight322.32 g/mol
Exact Mass322.04
IUPAC Name2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate
SMILESCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(C(=O)O)c2)cc1
InChIInChI=1S/C14H13NO6S/c1-21-10-3-5-11(6-4-10)22(19,20)15-9-2-7-13(16)12(8-9)14(17)18/h2-8,15-16H,1H3,(H,17,18)/p-1
InChIKeyMQKVIVPTKIHIAY-UHFFFAOYSA-M
XLogP1.27
TPSA115.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-carboxy-4-[(4-ethoxyphenyl)sulfonylamino]phenolate
CID 54710151
2-(dimethylamino)-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 46292269
2-chloro-5-[[4-(4-methoxyanilino)phenyl]sulfamoyl]benzoic acid
CID 58937137
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
4-methoxy-N-phenylbenzenesulfonamide
CID 835273
CID 171375610
CID 171375610
2-carboxy-4-[(4-hydroxyphenyl)sulfamoyl]phenolate
CID 54677693
2-(benzenesulfonyloxy)-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid
CID 45475412
5-[(4-methoxyphenyl)sulfonylamino]-2-[(3R)-3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]benzoic acid
CID 92887967
2-[butyl(methyl)amino]-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146054965
2-(6-carbamimidoylnaphthalen-2-yl)oxy-5-[(4-methoxyphenyl)sulfonylamino]benzoic acid
CID 70005967
2-carboxy-4-(thiophen-2-ylsulfonylamino)phenolate
CID 54711268

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate?
The IUPAC name of 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate (CID 54710152) is 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate.
What is the SMILES notation for 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate?
The canonical SMILES for 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate is COc1ccc(S(=O)(=O)Nc2ccc([O-])c(C(=O)O)c2)cc1.
What is the InChIKey of 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate?
The InChIKey is MQKVIVPTKIHIAY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H13NO6S/c1-21-10-3-5-11(6-4-10)22(19,20)15-9-2-7-13(16)12(8-9)14(17)18/h2-8,15-16H,1H3,(H,17,18)/p-1.
What are the key properties of 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate?
2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate has a molecular weight of 322.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-[(4-methoxyphenyl)sulfonylamino]phenolate is sourced from PubChem (CID 54710152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).