N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide

C16H16FNO3S — CID 110751562

IUPACN-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC1COc2ccccc2C1
InChIInChI=1S/C16H16FNO3S/c17-14-7-5-12(6-8-14)11-22(19,20)18-15-9-13-3-1-2-4-16(13)21-10-15/h1-8,15,18H,9-11H2
InChIKeyRUXFPTRKHCYSOQ-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.25
Rot. Bonds4

About N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide

N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 110751562) has the molecular formula C16H16FNO3S and a molecular weight of 321.37 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
PubChem CID110751562
Molecular FormulaC16H16FNO3S
Molecular Weight321.37 g/mol
Exact Mass321.08
IUPAC NameN-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NC1COc2ccccc2C1
InChIInChI=1S/C16H16FNO3S/c17-14-7-5-12(6-8-14)11-22(19,20)18-15-9-13-3-1-2-4-16(13)21-10-15/h1-8,15,18H,9-11H2
InChIKeyRUXFPTRKHCYSOQ-UHFFFAOYSA-N
XLogP2.25
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-benzyl-9-fluoro-3,4-dihydro-2H-5,1lambda6,2-benzoxathiazepine 1,1-dioxide
CID 51359579
4-fluoro-N-[1-[2-(2-methylphenoxy)ethyl]piperidin-4-yl]benzenesulfonamide
CID 127028634
1-Phenyl-n-(9h-xanthen-9-yl)methanesulfonamide
CID 233084
N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenoxy)propane-1-sulfonamide
CID 16884384
N-(9H-xanthen-9-yl)methanesulfonamide
CID 44273795
2-methyl-N-[1-[2-(2-phenylphenoxy)ethyl]piperidin-4-yl]propane-1-sulfonamide
CID 127038034
3-(4-fluorophenoxy)-N-(3-phenylpropyl)propane-1-sulfonamide
CID 16884360
N-[(2,6-difluorophenyl)methyl]-3-(4-fluorophenoxy)propane-1-sulfonamide
CID 16884368
N-(2-(4-fluorophenoxy)ethyl)-1-phenylmethanesulfonamide
CID 30867091
1-phenyl-N-(2-(3-(trifluoromethyl)phenoxy)ethyl)methanesulfonamide
CID 30867207
2-phenyl-N-(2-(3-(trifluoromethyl)phenoxy)ethyl)ethanesulfonamide
CID 30867214
1-(3-fluorophenyl)-N-((4-(2-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methyl)methanesulfonamide
CID 45505480

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide (CID 110751562) is N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NC1COc2ccccc2C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is RUXFPTRKHCYSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO3S/c17-14-7-5-12(6-8-14)11-22(19,20)18-15-9-13-3-1-2-4-16(13)21-10-15/h1-8,15,18H,9-11H2.
What are the key properties of N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide?
N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 321.37 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-3-yl)-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 110751562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).