N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide

C17H18FNO3S — CID 110790458

IUPACN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2c(c1)CCCO2)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c18-15-4-6-16(7-5-15)23(20,21)19-10-9-13-3-8-17-14(12-13)2-1-11-22-17/h3-8,12,19H,1-2,9-11H2
InChIKeyJWCKICBEISGYDH-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide

N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 110790458) has the molecular formula C17H18FNO3S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID110790458
Molecular FormulaC17H18FNO3S
Molecular Weight335.40 g/mol
Exact Mass335.10
IUPAC NameN-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCCc1ccc2c(c1)CCCO2)c1ccc(F)cc1
InChIInChI=1S/C17H18FNO3S/c18-15-4-6-16(7-5-15)23(20,21)19-10-9-13-3-8-17-14(12-13)2-1-11-22-17/h3-8,12,19H,1-2,9-11H2
InChIKeyJWCKICBEISGYDH-UHFFFAOYSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705619
N-[2-(4-aminophenyl)ethyl]-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 120715684
N-[2-(3,4-dichlorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 3716160
4-fluoro-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]benzenesulfonamide
CID 110788495
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
N-(2,4-difluorophenyl)-3,4-dihydro-2H-chromene-6-sulfonamide
CID 110705681
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3,4-dihydro-2H-chromene-6-sulfonamide
CID 136520086
N-[2-(1,3-benzodioxol-5-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 17451134
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
CID 110792417
4-bromo-N-[2-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 1320970
2-[2-(3,4-dihydro-2H-chromen-6-yl)ethylamino]ethanol
CID 96659085
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzenesulfonamide
CID 110791236

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide (CID 110790458) is N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide is O=S(=O)(NCCc1ccc2c(c1)CCCO2)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is JWCKICBEISGYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO3S/c18-15-4-6-16(7-5-15)23(20,21)19-10-9-13-3-8-17-14(12-13)2-1-11-22-17/h3-8,12,19H,1-2,9-11H2.
What are the key properties of N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide?
N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 335.40 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110790458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).