N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide

C12H16FNO3S — CID 110751326

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C12H16FNO3S/c1-2-7-18(15,16)14-11-5-6-17-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3
InChIKeyGRVOGGNGSVKVJL-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.98
Rot. Bonds4

About N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide (PubChem CID 110751326) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
PubChem CID110751326
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C12H16FNO3S/c1-2-7-18(15,16)14-11-5-6-17-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3
InChIKeyGRVOGGNGSVKVJL-UHFFFAOYSA-N
XLogP1.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
CID 110751350
5-ethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)thiophene-2-sulfonamide
CID 110751341
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
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
N-[6-(1-hydroxyethyl)-3,4-dihydro-2H-chromen-4-yl]ethanesulfonamide
CID 82174712
N',N'-diethyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)ethane-1,2-diamine
CID 82461639
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
7-fluoro-N-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43511971
6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide (CID 110751326) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide is CCCS(=O)(=O)NC1CCOc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide?
The InChIKey is GRVOGGNGSVKVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-2-7-18(15,16)14-11-5-6-17-12-4-3-9(13)8-10(11)12/h3-4,8,11,14H,2,5-7H2,1H3.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.98, 4 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-chromen-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 110751326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).