3-(3-chlorophenyl)sulfonyl-8-nitroquinoline

C15H9ClN2O4S — CID 67313867

IUPAC3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2cc(S(=O)(=O)c3cccc(Cl)c3)cnc12
InChIInChI=1S/C15H9ClN2O4S/c16-11-4-2-5-12(8-11)23(21,22)13-7-10-3-1-6-14(18(19)20)15(10)17-9-13/h1-9H
InChIKeyKLQRWQFEVTWMRM-UHFFFAOYSA-N
MW348.77 g/mol
LogP3.63
Rot. Bonds3

About 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline

3-(3-chlorophenyl)sulfonyl-8-nitroquinoline (PubChem CID 67313867) has the molecular formula C15H9ClN2O4S and a molecular weight of 348.77 g/mol. Its IUPAC name is 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline.

Molecular Properties

Compound Name3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
PubChem CID67313867
Molecular FormulaC15H9ClN2O4S
Molecular Weight348.77 g/mol
Exact Mass348.00
IUPAC Name3-(3-chlorophenyl)sulfonyl-8-nitroquinoline
SMILESO=[N+]([O-])c1cccc2cc(S(=O)(=O)c3cccc(Cl)c3)cnc12
InChIInChI=1S/C15H9ClN2O4S/c16-11-4-2-5-12(8-11)23(21,22)13-7-10-3-1-6-14(18(19)20)15(10)17-9-13/h1-9H
InChIKeyKLQRWQFEVTWMRM-UHFFFAOYSA-N
XLogP3.63
TPSA90.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.77
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(3-chlorophenyl)sulfonylpyrimidin-2-amine
CID 82305723
3-chloro-N-(4-methyl-5-nitro-2-pyridinyl)benzenesulfonamide
CID 75423615
3-(3-fluorophenyl)sulfonylquinolin-8-amine
CID 67314085
3-ethyl-8-nitroquinoline
CID 119082070
2-chloro-3-methyl-8-nitroquinoline
CID 86241531
6-(3-chlorophenyl)sulfonyl-5-nitroquinolin-8-amine
CID 19426755
(4-amino-3-nitrophenyl) 3-chlorobenzenesulfonate
CID 21386672
1,2-dichloro-4-(3-nitrophenyl)sulfonylbenzene
CID 154259440
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-8-nitroquinoline
CID 7972371
sodium;4-(benzenesulfonyl)-1-chloro-2-nitrobenzene;nitrite
CID 158164273
3,4-dichloro-8-nitroquinoline
CID 19592722

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline?
The IUPAC name of 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline (CID 67313867) is 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline.
What is the SMILES notation for 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline?
The canonical SMILES for 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline is O=[N+]([O-])c1cccc2cc(S(=O)(=O)c3cccc(Cl)c3)cnc12.
What is the InChIKey of 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline?
The InChIKey is KLQRWQFEVTWMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O4S/c16-11-4-2-5-12(8-11)23(21,22)13-7-10-3-1-6-14(18(19)20)15(10)17-9-13/h1-9H.
What are the key properties of 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline?
3-(3-chlorophenyl)sulfonyl-8-nitroquinoline has a molecular weight of 348.77 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)sulfonyl-8-nitroquinoline is sourced from PubChem (CID 67313867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).