(6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide

C16H13ClN2O2S — CID 91826656

IUPAC(6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-][n+]2cccc3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-12-4-7-15(8-5-12)22(20,21)18-19-10-2-3-13-11-14(17)6-9-16(13)19/h2-11H,1H3
InChIKeyMJJKUPYDOYGCCP-UHFFFAOYSA-N
MW332.81 g/mol
LogP3.61
Rot. Bonds3

About (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide

(6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide (PubChem CID 91826656) has the molecular formula C16H13ClN2O2S and a molecular weight of 332.81 g/mol. Its IUPAC name is (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide.

Molecular Properties

Compound Name(6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide
PubChem CID91826656
Molecular FormulaC16H13ClN2O2S
Molecular Weight332.81 g/mol
Exact Mass332.04
IUPAC Name(6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide
SMILESCc1ccc(S(=O)(=O)[N-][n+]2cccc3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H13ClN2O2S/c1-12-4-7-15(8-5-12)22(20,21)18-19-10-2-3-13-11-14(17)6-9-16(13)19/h2-11H,1H3
InChIKeyMJJKUPYDOYGCCP-UHFFFAOYSA-N
XLogP3.61
TPSA52.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.81
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(6-methylisoquinolin-2-ium-2-yl)-(4-methylphenyl)sulfonylazanide
CID 91826646
(3-methylbenzimidazol-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide
CID 16727041
(4-ethylisoquinolin-2-ium-2-yl)-(4-methylphenyl)sulfonylazanide
CID 134913386
sodium;chloro-(4-methylphenyl)sulfonylazanide;perylene
CID 88780829
bis-(4-methylphenyl)sulfonylazanide;gold(1+)
CID 177449969
(4-methylphenyl)sulfonyl-(5-phenyl-1,2-thiazol-2-ium-2-yl)azanide
CID 14823799
7-chloro-3-(4-methylphenyl)sulfonyl-1,2,4-benzotriazine
CID 57082447
(4-methylphenyl)sulfonyl-(3-phenylimidazol-1-ium-1-yl)azanide
CID 16727044
(4-chlorophenyl)sulfonyl-methylazanide
CID 101403328
6-chloro-1,2-dimethylquinolin-1-ium;4-methoxybenzenesulfonate
CID 177370437
N-(4-chlorophenyl)sulfonyl-4-methylbenzenesulfonamide
CID 10593652
N-[(2,4-dichlorophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 668213

Frequently Asked Questions

What is the IUPAC name of (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide?
The IUPAC name of (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide (CID 91826656) is (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide.
What is the SMILES notation for (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide?
The canonical SMILES for (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide is Cc1ccc(S(=O)(=O)[N-][n+]2cccc3cc(Cl)ccc32)cc1.
What is the InChIKey of (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide?
The InChIKey is MJJKUPYDOYGCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2S/c1-12-4-7-15(8-5-12)22(20,21)18-19-10-2-3-13-11-14(17)6-9-16(13)19/h2-11H,1H3.
What are the key properties of (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide?
(6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide has a molecular weight of 332.81 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloroquinolin-1-ium-1-yl)-(4-methylphenyl)sulfonylazanide is sourced from PubChem (CID 91826656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).