quinoline-4-sulfonic acid;hydrochloride

C9H8ClNO3S — CID 174805598

IUPACquinoline-4-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccnc2ccccc12
InChIInChI=1S/C9H7NO3S.ClH/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9;/h1-6H,(H,11,12,13);1H
InChIKeyZMXBHNUFVNRASL-UHFFFAOYSA-N
MW245.69 g/mol
LogP1.90
Rot. Bonds1

About quinoline-4-sulfonic acid;hydrochloride

quinoline-4-sulfonic acid;hydrochloride (PubChem CID 174805598) has the molecular formula C9H8ClNO3S and a molecular weight of 245.69 g/mol. Its IUPAC name is quinoline-4-sulfonic acid;hydrochloride.

Molecular Properties

Compound Namequinoline-4-sulfonic acid;hydrochloride
PubChem CID174805598
Molecular FormulaC9H8ClNO3S
Molecular Weight245.69 g/mol
Exact Mass244.99
IUPAC Namequinoline-4-sulfonic acid;hydrochloride
SMILESCl.O=S(=O)(O)c1ccnc2ccccc12
InChIInChI=1S/C9H7NO3S.ClH/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9;/h1-6H,(H,11,12,13);1H
InChIKeyZMXBHNUFVNRASL-UHFFFAOYSA-N
XLogP1.90
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.69
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-(benzenesulfonyl)quinoline
CID 170993168
ethyl quinoline-4-sulfonate
CID 152547858
6-methoxyquinoline-4-sulfonic acid
CID 119093175
1,4-benzodiazepin-5-one;methanesulfonic acid
CID 172839879
4-(4-sulfonaphthalen-1-yl)naphthalene-1-sulfonic acid
CID 15258357
sodium 8-(quinolin-4-ylamino)naphthalene-1,3,6-trisulfonic acid
CID 54608493
sodium 5-(quinolin-4-ylamino)-4,8-disulfonaphthalene-2-sulfonate
CID 90661164
naphthalene-1,5-disulfonic acid;silver
CID 88762000
1,5-Naphthalene disulfonic acid,sodium salt
CID 87069218
1-quinolin-4-ylpropane-1-sulfonic acid
CID 90989010
naphthalene-1-sulfonic acid
CID 158712346
naphthalene-1-sulfonic acid;2H-triazole
CID 122441144

Frequently Asked Questions

What is the IUPAC name of quinoline-4-sulfonic acid;hydrochloride?
The IUPAC name of quinoline-4-sulfonic acid;hydrochloride (CID 174805598) is quinoline-4-sulfonic acid;hydrochloride.
What is the SMILES notation for quinoline-4-sulfonic acid;hydrochloride?
The canonical SMILES for quinoline-4-sulfonic acid;hydrochloride is Cl.O=S(=O)(O)c1ccnc2ccccc12.
What is the InChIKey of quinoline-4-sulfonic acid;hydrochloride?
The InChIKey is ZMXBHNUFVNRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S.ClH/c11-14(12,13)9-5-6-10-8-4-2-1-3-7(8)9;/h1-6H,(H,11,12,13);1H.
What are the key properties of quinoline-4-sulfonic acid;hydrochloride?
quinoline-4-sulfonic acid;hydrochloride has a molecular weight of 245.69 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline-4-sulfonic acid;hydrochloride is sourced from PubChem (CID 174805598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).