N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide

C12H16FNO2S2 — CID 47371952

IUPACN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C12H16FNO2S2/c1-8(2)18(15,16)14-11-5-6-17-12-4-3-9(13)7-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyWFCUIHSHOKZALS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.69
Rot. Bonds3

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

N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide (PubChem CID 47371952) has the molecular formula C12H16FNO2S2 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
PubChem CID47371952
Molecular FormulaC12H16FNO2S2
Molecular Weight289.40 g/mol
Exact Mass289.06
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
SMILESCC(C)S(=O)(=O)NC1CCSc2ccc(F)cc21
InChIInChI=1S/C12H16FNO2S2/c1-8(2)18(15,16)14-11-5-6-17-12-4-3-9(13)7-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3
InChIKeyWFCUIHSHOKZALS-UHFFFAOYSA-N
XLogP2.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide
CID 47371964
1-cyclohexyl-N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]methanesulfonamide
CID 95733837
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)acetamide
CID 47121346
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
CID 26541560
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-methoxypropanamide
CID 113225578
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propanamide;hydrochloride
CID 119274634
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
2-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-methylbutanamide;hydrochloride
CID 119274645
3-amino-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)butanamide
CID 60837944
4-[(1S)-1-[[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfonamide
CID 97314700

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide (CID 47371952) is N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide is CC(C)S(=O)(=O)NC1CCSc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
The InChIKey is WFCUIHSHOKZALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2S2/c1-8(2)18(15,16)14-11-5-6-17-12-4-3-9(13)7-10(11)12/h3-4,7-8,11,14H,5-6H2,1-2H3.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide?
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide has a molecular weight of 289.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)propane-2-sulfonamide is sourced from PubChem (CID 47371952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).