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

C17H18FNO3S — CID 110751222

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCOc3ccccc32)ccc1F
InChIInChI=1S/C17H18FNO3S/c1-12-11-13(7-8-15(12)18)23(20,21)19(2)16-9-10-22-17-6-4-3-5-14(16)17/h3-8,11,16H,9-10H2,1-2H3
InChIKeyPTXGHKHLIBIQNV-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.28
Rot. Bonds3

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

N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide (PubChem CID 110751222) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
PubChem CID110751222
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)C2CCOc3ccccc32)ccc1F
InChIInChI=1S/C17H18FNO3S/c1-12-11-13(7-8-15(12)18)23(20,21)19(2)16-9-10-22-17-6-4-3-5-14(16)17/h3-8,11,16H,9-10H2,1-2H3
InChIKeyPTXGHKHLIBIQNV-UHFFFAOYSA-N
XLogP3.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-N,2-dimethylbenzenesulfonamide
CID 110751242
N-cyclohexyl-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 892144
N-(3,4-dihydro-2H-chromen-4-yl)-N,3,5-trimethyl-1,2-oxazole-4-sulfonamide
CID 110751240
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide
CID 110752869
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 104769760
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-N-methylbenzamide
CID 110751156
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
(4S)-7-fluoro-4-[methyl(sulfamoyl)amino]-3,4-dihydro-2H-chromene
CID 165409943
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-(dimethylsulfamoyl)benzamide
CID 18115177
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide (CID 110751222) is N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)C2CCOc3ccccc32)ccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
The InChIKey is PTXGHKHLIBIQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c1-12-11-13(7-8-15(12)18)23(20,21)19(2)16-9-10-22-17-6-4-3-5-14(16)17/h3-8,11,16H,9-10H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-4-yl)-4-fluoro-N,3-dimethylbenzenesulfonamide has a molecular weight of 335.40 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 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)-4-fluoro-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 110751222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).