3-chlorosulfonylbenzoic acid;hydrochloride

C7H6Cl2O4S — CID 87060062

IUPAC3-chlorosulfonylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H5ClO4S.ClH/c8-13(11,12)6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);1H
InChIKeyUFLZJTNMJVZOJW-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.73
Rot. Bonds2

About 3-chlorosulfonylbenzoic acid;hydrochloride

3-chlorosulfonylbenzoic acid;hydrochloride (PubChem CID 87060062) has the molecular formula C7H6Cl2O4S and a molecular weight of 257.09 g/mol. Its IUPAC name is 3-chlorosulfonylbenzoic acid;hydrochloride.

Molecular Properties

Compound Name3-chlorosulfonylbenzoic acid;hydrochloride
PubChem CID87060062
Molecular FormulaC7H6Cl2O4S
Molecular Weight257.09 g/mol
Exact Mass255.94
IUPAC Name3-chlorosulfonylbenzoic acid;hydrochloride
SMILESCl.O=C(O)c1cccc(S(=O)(=O)Cl)c1
InChIInChI=1S/C7H5ClO4S.ClH/c8-13(11,12)6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);1H
InChIKeyUFLZJTNMJVZOJW-UHFFFAOYSA-N
XLogP1.73
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chlorosulfonylbenzoic acid;hydrochloride?
The IUPAC name of 3-chlorosulfonylbenzoic acid;hydrochloride (CID 87060062) is 3-chlorosulfonylbenzoic acid;hydrochloride.
What is the SMILES notation for 3-chlorosulfonylbenzoic acid;hydrochloride?
The canonical SMILES for 3-chlorosulfonylbenzoic acid;hydrochloride is Cl.O=C(O)c1cccc(S(=O)(=O)Cl)c1.
What is the InChIKey of 3-chlorosulfonylbenzoic acid;hydrochloride?
The InChIKey is UFLZJTNMJVZOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO4S.ClH/c8-13(11,12)6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);1H.
What are the key properties of 3-chlorosulfonylbenzoic acid;hydrochloride?
3-chlorosulfonylbenzoic acid;hydrochloride has a molecular weight of 257.09 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorosulfonylbenzoic acid;hydrochloride is sourced from PubChem (CID 87060062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).