3-(quinoline-7-carbonylamino)benzenesulfonic acid

C16H12N2O4S — CID 142343655

IUPAC3-(quinoline-7-carbonylamino)benzenesulfonic acid
SMILESO=C(Nc1cccc(S(=O)(=O)O)c1)c1ccc2cccnc2c1
InChIInChI=1S/C16H12N2O4S/c19-16(12-7-6-11-3-2-8-17-15(11)9-12)18-13-4-1-5-14(10-13)23(20,21)22/h1-10H,(H,18,19)(H,20,21,22)
InChIKeyYRUDQZNJJTXTJB-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.73
Rot. Bonds3

About 3-(quinoline-7-carbonylamino)benzenesulfonic acid

3-(quinoline-7-carbonylamino)benzenesulfonic acid (PubChem CID 142343655) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 3-(quinoline-7-carbonylamino)benzenesulfonic acid.

Molecular Properties

Compound Name3-(quinoline-7-carbonylamino)benzenesulfonic acid
PubChem CID142343655
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name3-(quinoline-7-carbonylamino)benzenesulfonic acid
SMILESO=C(Nc1cccc(S(=O)(=O)O)c1)c1ccc2cccnc2c1
InChIInChI=1S/C16H12N2O4S/c19-16(12-7-6-11-3-2-8-17-15(11)9-12)18-13-4-1-5-14(10-13)23(20,21)22/h1-10H,(H,18,19)(H,20,21,22)
InChIKeyYRUDQZNJJTXTJB-UHFFFAOYSA-N
XLogP2.73
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-[3-[[2-(2-methoxyethoxy)phenyl]-methylsulfamoyl]phenyl]quinoline-7-carboxamide
CID 142343691
N-[3-(morpholine-4-carbonyl)phenyl]quinoline-7-carboxamide
CID 155312844
N-[4-fluoro-3-(methylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 142343698
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-(4-phenylsulfinamoylphenyl)quinoline-7-carboxamide
CID 166899812
N-(3-benzamido-4-methylphenyl)quinoline-7-carboxamide
CID 58842913
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
N-(4-chloro-2-methylphenyl)quinoline-7-carboxamide
CID 142343740
N-quinolin-6-yl-2H-benzotriazole-5-carboxamide
CID 60555981
1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 11486345

Frequently Asked Questions

What is the IUPAC name of 3-(quinoline-7-carbonylamino)benzenesulfonic acid?
The IUPAC name of 3-(quinoline-7-carbonylamino)benzenesulfonic acid (CID 142343655) is 3-(quinoline-7-carbonylamino)benzenesulfonic acid.
What is the SMILES notation for 3-(quinoline-7-carbonylamino)benzenesulfonic acid?
The canonical SMILES for 3-(quinoline-7-carbonylamino)benzenesulfonic acid is O=C(Nc1cccc(S(=O)(=O)O)c1)c1ccc2cccnc2c1.
What is the InChIKey of 3-(quinoline-7-carbonylamino)benzenesulfonic acid?
The InChIKey is YRUDQZNJJTXTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c19-16(12-7-6-11-3-2-8-17-15(11)9-12)18-13-4-1-5-14(10-13)23(20,21)22/h1-10H,(H,18,19)(H,20,21,22).
What are the key properties of 3-(quinoline-7-carbonylamino)benzenesulfonic acid?
3-(quinoline-7-carbonylamino)benzenesulfonic acid has a molecular weight of 328.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(quinoline-7-carbonylamino)benzenesulfonic acid is sourced from PubChem (CID 142343655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).