3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid

C7H4Cl2O7S2 — CID 13026920

IUPAC3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H4Cl2O7S2/c8-17(13,14)3-1-4(7(11)12)6(10)5(2-3)18(9,15)16/h1-2,10H,(H,11,12)
InChIKeyGHOQYEILGBUKQB-UHFFFAOYSA-N
MW335.14 g/mol
LogP0.95
Rot. Bonds3

About 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid

3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid (PubChem CID 13026920) has the molecular formula C7H4Cl2O7S2 and a molecular weight of 335.14 g/mol. Its IUPAC name is 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid
PubChem CID13026920
Molecular FormulaC7H4Cl2O7S2
Molecular Weight335.14 g/mol
Exact Mass333.88
IUPAC Name3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1O
InChIInChI=1S/C7H4Cl2O7S2/c8-17(13,14)3-1-4(7(11)12)6(10)5(2-3)18(9,15)16/h1-2,10H,(H,11,12)
InChIKeyGHOQYEILGBUKQB-UHFFFAOYSA-N
XLogP0.95
TPSA125.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.14
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chlorosulfonyl-2-hydroxy-3-methylbenzoic acid
CID 16778297
2-hydroxy-3,5-disulfobenzoic acid
CID 23422677
2,5-dibromo-3-chlorosulfonylbenzoic acid
CID 114356378
naphthalene-1,3,5,7-tetrasulfonyl chloride
CID 12899707
5-amino-2-hydroxy-3-sulfobenzoic acid;azane
CID 88831119
5-chlorosulfonyl-2-ethylbenzoic acid
CID 55280877
4,5-dichlorobenzene-1,3-disulfonyl chloride
CID 14195249
4-hydroxy-3,5-dimethylbenzenesulfonyl chloride
CID 15710042
2-chlorosulfonyl-4-iodobenzoic acid
CID 87913785
methyl 5-chlorosulfonyl-2-hydroxy-3-methylbenzoate
CID 87968213
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
7-hydroxynaphthalene-1,3-disulfonyl chloride
CID 86634467

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid?
The IUPAC name of 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid (CID 13026920) is 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid is O=C(O)c1cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c1O.
What is the InChIKey of 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid?
The InChIKey is GHOQYEILGBUKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O7S2/c8-17(13,14)3-1-4(7(11)12)6(10)5(2-3)18(9,15)16/h1-2,10H,(H,11,12).
What are the key properties of 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid?
3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid has a molecular weight of 335.14 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(chlorosulfonyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 13026920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).