potassium (4-carboxyphenyl)sulfonyl-chloroazanide

C7H5ClKNO4S — CID 143414308

IUPACpotassium (4-carboxyphenyl)sulfonyl-chloroazanide
SMILESO=C(O)c1ccc(S(=O)(=O)[N-]Cl)cc1.[K+]
InChIInChI=1S/C7H5ClNO4S.K/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11;/h1-4H,(H,10,11);/q-1;+1
InChIKeyPROAYXCCZNKZOB-UHFFFAOYSA-N
MW273.74 g/mol
LogP-1.39
Rot. Bonds3

About potassium (4-carboxyphenyl)sulfonyl-chloroazanide

potassium (4-carboxyphenyl)sulfonyl-chloroazanide (PubChem CID 143414308) has the molecular formula C7H5ClKNO4S and a molecular weight of 273.74 g/mol. Its IUPAC name is potassium (4-carboxyphenyl)sulfonyl-chloroazanide.

Molecular Properties

Compound Namepotassium (4-carboxyphenyl)sulfonyl-chloroazanide
PubChem CID143414308
Molecular FormulaC7H5ClKNO4S
Molecular Weight273.74 g/mol
Exact Mass272.93
IUPAC Namepotassium (4-carboxyphenyl)sulfonyl-chloroazanide
SMILESO=C(O)c1ccc(S(=O)(=O)[N-]Cl)cc1.[K+]
InChIInChI=1S/C7H5ClNO4S.K/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11;/h1-4H,(H,10,11);/q-1;+1
InChIKeyPROAYXCCZNKZOB-UHFFFAOYSA-N
XLogP-1.39
TPSA85.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carboxyphenyl)sulfonylbenzoic acid;copper
CID 67782249
lithium 4-carboxybenzenesulfonate
CID 175581947
potassium;terephthalic acid;hydroxide
CID 157415014
sodium (3-carboxyphenyl)sulfonyl-(4-carboxyphenyl)sulfonylazanide
CID 22027089
terephthalic acid
CID 160582437
lithium;copper;hydride;terephthalic acid
CID 175298386
4-hydroxybenzenesulfonic acid;4-hydroxybenzoic acid
CID 159433039
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
4-[(4-chlorosulfonylbenzoyl)amino]benzoic acid
CID 164925854
4-[hydroxy(dimethyl)-λ4-sulfanyl]benzoic acid
CID 144547570

Frequently Asked Questions

What is the IUPAC name of potassium (4-carboxyphenyl)sulfonyl-chloroazanide?
The IUPAC name of potassium (4-carboxyphenyl)sulfonyl-chloroazanide (CID 143414308) is potassium (4-carboxyphenyl)sulfonyl-chloroazanide.
What is the SMILES notation for potassium (4-carboxyphenyl)sulfonyl-chloroazanide?
The canonical SMILES for potassium (4-carboxyphenyl)sulfonyl-chloroazanide is O=C(O)c1ccc(S(=O)(=O)[N-]Cl)cc1.[K+].
What is the InChIKey of potassium (4-carboxyphenyl)sulfonyl-chloroazanide?
The InChIKey is PROAYXCCZNKZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNO4S.K/c8-9-14(12,13)6-3-1-5(2-4-6)7(10)11;/h1-4H,(H,10,11);/q-1;+1.
What are the key properties of potassium (4-carboxyphenyl)sulfonyl-chloroazanide?
potassium (4-carboxyphenyl)sulfonyl-chloroazanide has a molecular weight of 273.74 g/mol, XLogP of -1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium (4-carboxyphenyl)sulfonyl-chloroazanide is sourced from PubChem (CID 143414308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).