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

C18H20FNO3S — CID 110751350

IUPACN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C18H20FNO3S/c19-15-8-9-18-16(13-15)17(10-11-23-18)20-24(21,22)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,17,20H,4,7,10-12H2
InChIKeyHAPJKIZXFRNITI-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.20
Rot. Bonds6

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

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide (PubChem CID 110751350) has the molecular formula C18H20FNO3S and a molecular weight of 349.43 g/mol. Its IUPAC name is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
PubChem CID110751350
Molecular FormulaC18H20FNO3S
Molecular Weight349.43 g/mol
Exact Mass349.11
IUPAC NameN-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide
SMILESO=S(=O)(CCCc1ccccc1)NC1CCOc2ccc(F)cc21
InChIInChI=1S/C18H20FNO3S/c19-15-8-9-18-16(13-15)17(10-11-23-18)20-24(21,22)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,17,20H,4,7,10-12H2
InChIKeyHAPJKIZXFRNITI-UHFFFAOYSA-N
XLogP3.20
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propane-1-sulfonamide
CID 110751326
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-phenylmethanesulfonamide
CID 33038573
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
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
N-(3,4-dihydro-2H-chromen-4-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 42960718
2-[(6-fluoro-3,4-dihydro-2H-chromen-4-yl)amino]-3H-quinazolin-4-one
CID 137268379
6-fluoro-N-[(4-methylphenyl)methyl]-3,4-dihydro-2H-chromen-4-amine
CID 82461647
N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-1-phenylmethanesulfonamide
CID 26541560
(4R)-6-fluoro-N-(pyrimidin-5-ylmethyl)-3,4-dihydro-2H-chromen-4-amine
CID 124696908

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide (CID 110751350) is N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide is O=S(=O)(CCCc1ccccc1)NC1CCOc2ccc(F)cc21.
What is the InChIKey of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide?
The InChIKey is HAPJKIZXFRNITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO3S/c19-15-8-9-18-16(13-15)17(10-11-23-18)20-24(21,22)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,13,17,20H,4,7,10-12H2.
What are the key properties of N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide?
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-phenylpropane-1-sulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.20, 6 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)-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110751350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).