sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide

C14H10NNaO8S2 — CID 22027089

IUPACsodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide
SMILESO=C(O)c1ccc(S(=O)(=O)[N-]S(=O)(=O)c2cccc(C(=O)O)c2)cc1.[Na+]
InChIInChI=1S/C14H10NO8S2.Na/c16-13(17)9-4-6-11(7-5-9)24(20,21)15-25(22,23)12-3-1-2-10(8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q-1;+1
InChIKeyJITGHWHWPSICPW-UHFFFAOYSA-N
MW407.36 g/mol
LogP-1.46
Rot. Bonds6

About sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide

sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide (PubChem CID 22027089) has the molecular formula C14H10NNaO8S2 and a molecular weight of 407.36 g/mol. Its IUPAC name is sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide.

Molecular Properties

Compound Namesodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide
PubChem CID22027089
Molecular FormulaC14H10NNaO8S2
Molecular Weight407.36 g/mol
Exact Mass406.97
IUPAC Namesodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide
SMILESO=C(O)c1ccc(S(=O)(=O)[N-]S(=O)(=O)c2cccc(C(=O)O)c2)cc1.[Na+]
InChIInChI=1S/C14H10NO8S2.Na/c16-13(17)9-4-6-11(7-5-9)24(20,21)15-25(22,23)12-3-1-2-10(8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q-1;+1
InChIKeyJITGHWHWPSICPW-UHFFFAOYSA-N
XLogP-1.46
TPSA156.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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potassium;hydride;3-sulfobenzoic acid
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3-chlorosulfonylbenzoic acid;hydrochloride
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CID 175726263
potassium (4-carboxyphenyl)sulfonyl-chloroazanide
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3-(hydroxysulfamoyl)benzoic acid
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4-(3-carboxyphenyl)sulfonyl-N-hydroxybenzeneamine oxide
CID 21141008
CID 139146863
CID 139146863
benzene-1,3-dicarboxylic acid;phosphane
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benzene-1,3-dicarboxylic acid;rhodium
CID 158643535

Frequently Asked Questions

What is the IUPAC name of sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide?
The IUPAC name of sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide (CID 22027089) is sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide.
What is the SMILES notation for sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide?
The canonical SMILES for sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide is O=C(O)c1ccc(S(=O)(=O)[N-]S(=O)(=O)c2cccc(C(=O)O)c2)cc1.[Na+].
What is the InChIKey of sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide?
The InChIKey is JITGHWHWPSICPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NO8S2.Na/c16-13(17)9-4-6-11(7-5-9)24(20,21)15-25(22,23)12-3-1-2-10(8-12)14(18)19;/h1-8H,(H,16,17)(H,18,19);/q-1;+1.
What are the key properties of sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide?
sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide has a molecular weight of 407.36 g/mol, XLogP of -1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide is sourced from PubChem (CID 22027089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).