1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide

C16H15F2NO3S — CID 126853982

IUPAC1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCC1COc2ccccc21
InChIInChI=1S/C16H15F2NO3S/c17-13-5-6-15(18)11(7-13)10-23(20,21)19-8-12-9-22-16-4-2-1-3-14(12)16/h1-7,12,19H,8-10H2
InChIKeyKOWJJSNVTAIHSS-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.56
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide

1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide (PubChem CID 126853982) has the molecular formula C16H15F2NO3S and a molecular weight of 339.36 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
PubChem CID126853982
Molecular FormulaC16H15F2NO3S
Molecular Weight339.36 g/mol
Exact Mass339.07
IUPAC Name1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCC1COc2ccccc21
InChIInChI=1S/C16H15F2NO3S/c17-13-5-6-15(18)11(7-13)10-23(20,21)19-8-12-9-22-16-4-2-1-3-14(12)16/h1-7,12,19H,8-10H2
InChIKeyKOWJJSNVTAIHSS-UHFFFAOYSA-N
XLogP2.56
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide
CID 110751798
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 126795649
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,4-dimethoxybenzenesulfonamide
CID 110751818
3-[(2-fluorophenyl)sulfonylmethyl]-2,3-dihydro-1-benzofuran
CID 79230016
2-(3,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)ethanamine
CID 79218778
(1R)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1-(3-fluorophenyl)ethanamine
CID 81365124
4-acetyl-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)benzenesulfonamide
CID 110751853
4-bromo-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2,5-difluoroaniline
CID 107611014
3,5-dichloro-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-fluoroaniline
CID 107573888
1-(2-chlorophenyl)-N-[(2,5-difluorophenyl)methyl]methanesulfonamide
CID 110780996
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3,4-dimethylbenzenesulfonamide
CID 126766920
[2-(2,4-difluorophenyl)-1-(2,3-dihydro-1-benzofuran-3-yl)ethyl]hydrazine
CID 105262757

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide (CID 126853982) is 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCC1COc2ccccc21.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
The InChIKey is KOWJJSNVTAIHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO3S/c17-13-5-6-15(18)11(7-13)10-23(20,21)19-8-12-9-22-16-4-2-1-3-14(12)16/h1-7,12,19H,8-10H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide?
1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide has a molecular weight of 339.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 126853982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).