N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide

C16H16FNO2S2 — CID 26541560

IUPACN-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H16FNO2S2/c17-13-6-7-16-14(10-13)15(8-9-21-16)18-22(19,20)11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2/t15-/m0/s1
InChIKeyJGBYYWBWTDTWEK-HNNXBMFYSA-N
MW337.44 g/mol
LogP3.48
Rot. Bonds4

About N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide

N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide (PubChem CID 26541560) has the molecular formula C16H16FNO2S2 and a molecular weight of 337.44 g/mol. Its IUPAC name is N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
PubChem CID26541560
Molecular FormulaC16H16FNO2S2
Molecular Weight337.44 g/mol
Exact Mass337.06
IUPAC NameN-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)N[C@H]1CCSc2ccc(F)cc21
InChIInChI=1S/C16H16FNO2S2/c17-13-6-7-16-14(10-13)15(8-9-21-16)18-22(19,20)11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2/t15-/m0/s1
InChIKeyJGBYYWBWTDTWEK-HNNXBMFYSA-N
XLogP3.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)propane-2-sulfonamide
CID 47371952
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468672
N-[(4R)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-3-phenylpropanamide
CID 26468671
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-4-nitrobenzenesulfonamide
CID 51249468
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 42887686
6-fluoro-N-[(2-fluorophenyl)methyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43230785
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(4-hydroxyphenyl)acetamide
CID 78820326
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-(2-methylphenyl)acetamide
CID 51247447
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-2-thiophen-2-ylacetamide
CID 47121348

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide (CID 26541560) is N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)N[C@H]1CCSc2ccc(F)cc21.
What is the InChIKey of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide?
The InChIKey is JGBYYWBWTDTWEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16FNO2S2/c17-13-6-7-16-14(10-13)15(8-9-21-16)18-22(19,20)11-12-4-2-1-3-5-12/h1-7,10,15,18H,8-9,11H2/t15-/m0/s1.
What are the key properties of N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide?
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide has a molecular weight of 337.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 26541560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).