6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine

C15H10ClN3O4S — CID 19426755

IUPAC6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine
SMILESNc1cc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C15H10ClN3O4S/c16-9-3-1-4-10(7-9)24(22,23)13-8-12(17)14-11(5-2-6-18-14)15(13)19(20)21/h1-8H,17H2
InChIKeyOKMLSCFEFZDEIH-UHFFFAOYSA-N
MW363.78 g/mol
LogP3.21
Rot. Bonds3

About 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine

6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine (PubChem CID 19426755) has the molecular formula C15H10ClN3O4S and a molecular weight of 363.78 g/mol. Its IUPAC name is 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine
PubChem CID19426755
Molecular FormulaC15H10ClN3O4S
Molecular Weight363.78 g/mol
Exact Mass363.01
IUPAC Name6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine
SMILESNc1cc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c2cccnc12
InChIInChI=1S/C15H10ClN3O4S/c16-9-3-1-4-10(7-9)24(22,23)13-8-12(17)14-11(5-2-6-18-14)15(13)19(20)21/h1-8H,17H2
InChIKeyOKMLSCFEFZDEIH-UHFFFAOYSA-N
XLogP3.21
TPSA116.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.78
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine?
The IUPAC name of 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine (CID 19426755) is 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine.
What is the SMILES notation for 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine?
The canonical SMILES for 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine is Nc1cc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c2cccnc12.
What is the InChIKey of 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine?
The InChIKey is OKMLSCFEFZDEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4S/c16-9-3-1-4-10(7-9)24(22,23)13-8-12(17)14-11(5-2-6-18-14)15(13)19(20)21/h1-8H,17H2.
What are the key properties of 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine?
6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine has a molecular weight of 363.78 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine is sourced from PubChem (CID 19426755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).