4-(4-carboxyphenyl)sulfonylbenzoic acid;copper

C14H10CuO6S — CID 67782249

IUPAC4-(4-carboxyphenyl)sulfonylbenzoic acid;copper
SMILESO=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.[Cu]
InChIInChI=1S/C14H10O6S.Cu/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,15,16)(H,17,18);
InChIKeyYOQVEXZZGLBCBV-UHFFFAOYSA-N
MW369.84 g/mol
LogP1.91
Rot. Bonds4

About 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper

4-(4-carboxyphenyl)sulfonylbenzoic acid;copper (PubChem CID 67782249) has the molecular formula C14H10CuO6S and a molecular weight of 369.84 g/mol. Its IUPAC name is 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper.

Molecular Properties

Compound Name4-(4-carboxyphenyl)sulfonylbenzoic acid;copper
PubChem CID67782249
Molecular FormulaC14H10CuO6S
Molecular Weight369.84 g/mol
Exact Mass368.95
IUPAC Name4-(4-carboxyphenyl)sulfonylbenzoic acid;copper
SMILESO=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.[Cu]
InChIInChI=1S/C14H10O6S.Cu/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,15,16)(H,17,18);
InChIKeyYOQVEXZZGLBCBV-UHFFFAOYSA-N
XLogP1.91
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-carboxyphenyl)sulfonylbenzoic acid;guanidine
CID 67856213
4-(4-carboxyphenyl)sulfonylbenzoic acid;bis(tetraethylazanium)
CID 67781976
lithium;copper;hydride;terephthalic acid
CID 175298386
4-(4-aminophenyl)sulfonylaniline;4-hydroxybenzoic acid
CID 175386135
4-[4-[4-[4-[4-(4-carboxyphenyl)phenoxy]phenyl]sulfonylphenoxy]phenyl]benzoic acid
CID 22404867
lithium 4-carboxybenzenesulfonate
CID 175581947
terephthalic acid
CID 160582437
4-(4-carboxyphenyl)sulfonylbenzoic acid;tetraheptylazanium
CID 67856178
4-hydroxybenzenesulfonic acid;4-hydroxybenzoic acid
CID 159433039
[4-(benzenesulfonyl)phenyl]-phenylmethanone
CID 1040286
terephthalic acid;dihydrofluoride
CID 70485309
chromium;terephthalic acid
CID 87187082

Frequently Asked Questions

What is the IUPAC name of 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper?
The IUPAC name of 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper (CID 67782249) is 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper.
What is the SMILES notation for 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper?
The canonical SMILES for 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper is O=C(O)c1ccc(S(=O)(=O)c2ccc(C(=O)O)cc2)cc1.[Cu].
What is the InChIKey of 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper?
The InChIKey is YOQVEXZZGLBCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O6S.Cu/c15-13(16)9-1-5-11(6-2-9)21(19,20)12-7-3-10(4-8-12)14(17)18;/h1-8H,(H,15,16)(H,17,18);.
What are the key properties of 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper?
4-(4-carboxyphenyl)sulfonylbenzoic acid;copper has a molecular weight of 369.84 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carboxyphenyl)sulfonylbenzoic acid;copper is sourced from PubChem (CID 67782249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).