N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride

C10H9ClN2O3S2 — CID 125424737

IUPACN-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride
SMILESC[S@@](=O)(=NS(=O)(=O)Cl)c1cccc2cccnc12
InChIInChI=1S/C10H9ClN2O3S2/c1-17(14,13-18(11,15)16)9-6-2-4-8-5-3-7-12-10(8)9/h2-7H,1H3/t17-/m0/s1
InChIKeyRPTSTGUQWQYSBP-KRWDZBQOSA-N
MW304.78 g/mol
LogP2.18
Rot. Bonds2

About N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride

N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride (PubChem CID 125424737) has the molecular formula C10H9ClN2O3S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride.

Molecular Properties

Compound NameN-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride
PubChem CID125424737
Molecular FormulaC10H9ClN2O3S2
Molecular Weight304.78 g/mol
Exact Mass303.97
IUPAC NameN-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride
SMILESC[S@@](=O)(=NS(=O)(=O)Cl)c1cccc2cccnc12
InChIInChI=1S/C10H9ClN2O3S2/c1-17(14,13-18(11,15)16)9-6-2-4-8-5-3-7-12-10(8)9/h2-7H,1H3/t17-/m0/s1
InChIKeyRPTSTGUQWQYSBP-KRWDZBQOSA-N
XLogP2.18
TPSA76.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-methylsulfanylsulfonylquinoline
CID 913226
2-quinolin-8-ylbenzenesulfonyl chloride
CID 139939947
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
(2-methoxyphenyl) quinoline-8-sulfonate
CID 15944591
methyl N'-quinolin-8-ylsulfonylcarbamimidate
CID 4663041
tetrapotassium;bis(quinolin-8-olate);sulfate
CID 170905215
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
methylsulfonyl(quinolin-8-yl)azanide
CID 25244687
palladium(2+);bis(quinolin-8-olate)
CID 15139981

Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride?
The IUPAC name of N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride (CID 125424737) is N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride.
What is the SMILES notation for N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride?
The canonical SMILES for N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride is C[S@@](=O)(=NS(=O)(=O)Cl)c1cccc2cccnc12.
What is the InChIKey of N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride?
The InChIKey is RPTSTGUQWQYSBP-KRWDZBQOSA-N. The full InChI is InChI=1S/C10H9ClN2O3S2/c1-17(14,13-18(11,15)16)9-6-2-4-8-5-3-7-12-10(8)9/h2-7H,1H3/t17-/m0/s1.
What are the key properties of N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride?
N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride has a molecular weight of 304.78 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-quinolin-8-yl-λ6-sulfanylidene)sulfamoyl chloride is sourced from PubChem (CID 125424737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).