2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

C16H16FNO4S — CID 93045417

IUPAC2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESCOc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccccc1F)C2
InChIInChI=1S/C16H16FNO4S/c1-21-14-7-4-5-11-9-12(10-22-16(11)14)18-23(19,20)15-8-3-2-6-13(15)17/h2-8,12,18H,9-10H2,1H3/t12-/m0/s1
InChIKeyVEPHFLFPCKGDEM-LBPRGKRZSA-N
MW337.37 g/mol
LogP2.12
Rot. Bonds4

About 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide

2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (PubChem CID 93045417) has the molecular formula C16H16FNO4S and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
PubChem CID93045417
Molecular FormulaC16H16FNO4S
Molecular Weight337.37 g/mol
Exact Mass337.08
IUPAC Name2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
SMILESCOc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccccc1F)C2
InChIInChI=1S/C16H16FNO4S/c1-21-14-7-4-5-11-9-12(10-22-16(11)14)18-23(19,20)15-8-3-2-6-13(15)17/h2-8,12,18H,9-10H2,1H3/t12-/m0/s1
InChIKeyVEPHFLFPCKGDEM-LBPRGKRZSA-N
XLogP2.12
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209985
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]ethanesulfonamide
CID 93072784
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
2-fluoro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzenesulfonamide
CID 60639849
N-[(3R)-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 94064797
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)pyrimidin-2-amine
CID 56824753
8-methoxy-N-(3-methylsulfanylpropyl)-3,4-dihydro-2H-chromen-3-amine
CID 45249758
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-1-phenylmethanesulfonamide
CID 95117122
(3S)-N-[1-(2-fluorophenyl)piperidin-4-yl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97117554
2-fluoro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 43653542

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide (CID 93045417) is 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is COc1cccc2c1OC[C@@H](NS(=O)(=O)c1ccccc1F)C2.
What is the InChIKey of 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
The InChIKey is VEPHFLFPCKGDEM-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H16FNO4S/c1-21-14-7-4-5-11-9-12(10-22-16(11)14)18-23(19,20)15-8-3-2-6-13(15)17/h2-8,12,18H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide?
2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide has a molecular weight of 337.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide is sourced from PubChem (CID 93045417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).