N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride

C11H11ClN2O3S2 — CID 125424689

IUPACN-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCc1cc([S@@](C)(=O)=NS(=O)(=O)Cl)nc2ccccc12
InChIInChI=1S/C11H11ClN2O3S2/c1-8-7-11(18(2,15)14-19(12,16)17)13-10-6-4-3-5-9(8)10/h3-7H,1-2H3/t18-/m1/s1
InChIKeyNYDSLWJHXHZSEN-GOSISDBHSA-N
MW318.81 g/mol
LogP2.48
Rot. Bonds2

About N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride

N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride (PubChem CID 125424689) has the molecular formula C11H11ClN2O3S2 and a molecular weight of 318.81 g/mol. Its IUPAC name is N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride.

Molecular Properties

Compound NameN-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
PubChem CID125424689
Molecular FormulaC11H11ClN2O3S2
Molecular Weight318.81 g/mol
Exact Mass317.99
IUPAC NameN-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride
SMILESCc1cc([S@@](C)(=O)=NS(=O)(=O)Cl)nc2ccccc12
InChIInChI=1S/C11H11ClN2O3S2/c1-8-7-11(18(2,15)14-19(12,16)17)13-10-6-4-3-5-9(8)10/h3-7H,1-2H3/t18-/m1/s1
InChIKeyNYDSLWJHXHZSEN-GOSISDBHSA-N
XLogP2.48
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylquinoline-2-sulfonic acid
CID 119081997
ethyl-imino-(4-methylquinolin-2-yl)-oxo-λ6-sulfane
CID 125424625
2-(4-methoxyphenyl)sulfonyl-4-methylquinoline
CID 71371296
4-methylquinoline-2-carbaldehyde
CID 12735795
2-methyl-4-methylsulfonylquinoline
CID 4189252
4-methyl-N-phenylquinolin-2-amine
CID 616278
bis(2,4-dimethylquinazoline);bis(2,4-dimethylquinoline);ethane
CID 163451180
O-(4-methylquinolin-2-yl)hydroxylamine
CID 121366650
4-(4-methylquinolin-2-yl)cyclohexan-1-one
CID 162401724
2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
4-methyl-2-prop-1-en-2-ylquinoline
CID 119082154

Frequently Asked Questions

What is the IUPAC name of N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The IUPAC name of N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride (CID 125424689) is N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride.
What is the SMILES notation for N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The canonical SMILES for N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride is Cc1cc([S@@](C)(=O)=NS(=O)(=O)Cl)nc2ccccc12.
What is the InChIKey of N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
The InChIKey is NYDSLWJHXHZSEN-GOSISDBHSA-N. The full InChI is InChI=1S/C11H11ClN2O3S2/c1-8-7-11(18(2,15)14-19(12,16)17)13-10-6-4-3-5-9(8)10/h3-7H,1-2H3/t18-/m1/s1.
What are the key properties of N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride?
N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride has a molecular weight of 318.81 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methyl-(4-methylquinolin-2-yl)-oxo-λ6-sulfanylidene]sulfamoyl chloride is sourced from PubChem (CID 125424689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).