N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide

C19H17FN2O2S2 — CID 55559714

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCSc3ccc(F)cc32)c2cccnc12
InChIInChI=1S/C19H17FN2O2S2/c1-12-4-7-18(14-3-2-9-21-19(12)14)26(23,24)22-16-8-10-25-17-6-5-13(20)11-15(16)17/h2-7,9,11,16,22H,8,10H2,1H3
InChIKeyFIWKYUUTARSBSW-UHFFFAOYSA-N
MW388.49 g/mol
LogP4.20
Rot. Bonds3

About N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide (PubChem CID 55559714) has the molecular formula C19H17FN2O2S2 and a molecular weight of 388.49 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide
PubChem CID55559714
Molecular FormulaC19H17FN2O2S2
Molecular Weight388.49 g/mol
Exact Mass388.07
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCSc3ccc(F)cc32)c2cccnc12
InChIInChI=1S/C19H17FN2O2S2/c1-12-4-7-18(14-3-2-9-21-19(12)14)26(23,24)22-16-8-10-25-17-6-5-13(20)11-15(16)17/h2-7,9,11,16,22H,8,10H2,1H3
InChIKeyFIWKYUUTARSBSW-UHFFFAOYSA-N
XLogP4.20
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 42887686
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylquinoline-8-sulfonamide
CID 42941371
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371952
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 52506312
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240
N-(3-aminocyclobutyl)-8-methylquinoline-5-sulfonamide
CID 104774049
8-methyl-N-[(3S,5S)-5-methyl-2-oxooxolan-3-yl]quinoline-5-sulfonamide
CID 124885069
N-[(1S)-1-cyclopropylethyl]-8-methylquinoline-5-sulfonamide
CID 95933685
8-methyl-N-[(3S)-pyrrolidin-3-yl]quinoline-5-sulfonamide
CID 104774085
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-quinolin-8-ylacetamide
CID 51307065
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-nitrobenzenesulfonamide
CID 51249468
dimethyl 5-[[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]benzene-1,3-dicarboxylate
CID 26541547

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide (CID 55559714) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide is Cc1ccc(S(=O)(=O)NC2CCSc3ccc(F)cc32)c2cccnc12.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide?
The InChIKey is FIWKYUUTARSBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2S2/c1-12-4-7-18(14-3-2-9-21-19(12)14)26(23,24)22-16-8-10-25-17-6-5-13(20)11-15(16)17/h2-7,9,11,16,22H,8,10H2,1H3.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide has a molecular weight of 388.49 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-8-methylquinoline-5-sulfonamide is sourced from PubChem (CID 55559714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).