N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide

C17H18FNO4S — CID 126795649

IUPACN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCOc3ccccc32)ccc1F
InChIInChI=1S/C17H18FNO4S/c1-22-17-10-13(6-7-15(17)18)24(20,21)19-11-12-8-9-23-16-5-3-2-4-14(12)16/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyHDEXNXWFJARPIC-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.68
Rot. Bonds5

About N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide (PubChem CID 126795649) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
PubChem CID126795649
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC NameN-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)NCC2CCOc3ccccc32)ccc1F
InChIInChI=1S/C17H18FNO4S/c1-22-17-10-13(6-7-15(17)18)24(20,21)19-11-12-8-9-23-16-5-3-2-4-14(12)16/h2-7,10,12,19H,8-9,11H2,1H3
InChIKeyHDEXNXWFJARPIC-UHFFFAOYSA-N
XLogP2.68
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
4-(3,4-dihydro-2H-chromen-4-ylmethylsulfamoyl)benzoic acid
CID 110709324
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)benzenesulfonamide
CID 110709330
N-(3,4-dihydro-2H-chromen-4-yl)-5-(ethylsulfamoyl)-2-fluorobenzamide
CID 47049200
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
CID 110751818
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 32940565
N-(3,4-dihydro-2H-chromen-4-yl)-3-fluoro-4-methylbenzenesulfonamide
CID 42960719
1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 126853982
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine;hydrochloride
CID 165145525
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
4-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)aniline
CID 104768223

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide (CID 126795649) is N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)NCC2CCOc3ccccc32)ccc1F.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide?
The InChIKey is HDEXNXWFJARPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-22-17-10-13(6-7-15(17)18)24(20,21)19-11-12-8-9-23-16-5-3-2-4-14(12)16/h2-7,10,12,19H,8-9,11H2,1H3.
What are the key properties of N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide?
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide has a molecular weight of 351.40 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide is sourced from PubChem (CID 126795649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).