N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide

C16H16FNO3S — CID 42960718

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCOc2ccccc21
InChIInChI=1S/C16H16FNO3S/c1-11-6-7-12(17)10-16(11)22(19,20)18-14-8-9-21-15-5-3-2-4-13(14)15/h2-7,10,14,18H,8-9H2,1H3
InChIKeyLIYKJYDVYXUJQK-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.94
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide

N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide (PubChem CID 42960718) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
PubChem CID42960718
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)NC1CCOc2ccccc21
InChIInChI=1S/C16H16FNO3S/c1-11-6-7-12(17)10-16(11)22(19,20)18-14-8-9-21-15-5-3-2-4-13(14)15/h2-7,10,14,18H,8-9H2,1H3
InChIKeyLIYKJYDVYXUJQK-UHFFFAOYSA-N
XLogP2.94
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,4-dimethylbenzenesulfonamide
CID 110751334
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylfuran-3-sulfonamide
CID 126770272
N-(4-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43195976
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]methanesulfonamide
CID 94197081
5-[[(4R)-3,4-dihydro-2H-chromen-4-yl]sulfamoyl]-2-methylbenzamide
CID 34042955
N-(3,4-dihydro-2H-chromen-4-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 18096764
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)-1-methylpyrazole-4-sulfonamide
CID 61108787
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-4-methyl-3-sulfamoylbenzamide
CID 9091692
5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 110751341
(4R)-4-[[methyl(propan-2-yl)sulfamoyl]amino]-3,4-dihydro-2H-chromene
CID 94026699

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide (CID 42960718) is N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)NC1CCOc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide?
The InChIKey is LIYKJYDVYXUJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c1-11-6-7-12(17)10-16(11)22(19,20)18-14-8-9-21-15-5-3-2-4-13(14)15/h2-7,10,14,18H,8-9H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 42960718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).