6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene

C16H15FO3S — CID 163753941

IUPAC6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene
SMILESCc1ccc(S(=O)(=O)C2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C16H15FO3S/c1-11-2-5-13(6-3-11)21(18,19)16-8-9-20-15-7-4-12(17)10-14(15)16/h2-7,10,16H,8-9H2,1H3
InChIKeyLSKDIBXGKQRUGH-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.43
Rot. Bonds2

About 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene

6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene (PubChem CID 163753941) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene
PubChem CID163753941
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene
SMILESCc1ccc(S(=O)(=O)C2CCOc3ccc(F)cc32)cc1
InChIInChI=1S/C16H15FO3S/c1-11-2-5-13(6-3-11)21(18,19)16-8-9-20-15-7-4-12(17)10-14(15)16/h2-7,10,16H,8-9H2,1H3
InChIKeyLSKDIBXGKQRUGH-UHFFFAOYSA-N
XLogP3.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 110751334
(4aR,11bR)-10-fluoro-4-propyl-2,3,4a,5,6,11b-hexahydro-[1]benzoxepino[5,4-b][1,4]oxazine;4-methylbenzenesulfonic acid
CID 88639736
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126770272
N-(6-chloro-3,4-dihydro-2H-chromen-4-yl)-4-methylbenzenesulfonamide
CID 108783097
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
6-fluoro-N-(3-methyl-4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 133295731
(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene
CID 165409943
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanamine
CID 82241121

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene (CID 163753941) is 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene is Cc1ccc(S(=O)(=O)C2CCOc3ccc(F)cc32)cc1.
What is the InChIKey of 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene?
The InChIKey is LSKDIBXGKQRUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-11-2-5-13(6-3-11)21(18,19)16-8-9-20-15-7-4-12(17)10-14(15)16/h2-7,10,16H,8-9H2,1H3.
What are the key properties of 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene?
6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene has a molecular weight of 306.36 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 163753941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).