N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide

C18H18FNO3S — CID 121021353

IUPACN-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(C)Cc1cc2ccccc2o1
InChIInChI=1S/C18H18FNO3S/c1-12-9-15(19)7-8-18(12)24(21,22)20-13(2)10-16-11-14-5-3-4-6-17(14)23-16/h3-9,11,13,20H,10H2,1-2H3
InChIKeyAYQHOQNPBSWMOL-UHFFFAOYSA-N
MW347.41 g/mol
LogP3.79
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide

N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 121021353) has the molecular formula C18H18FNO3S and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID121021353
Molecular FormulaC18H18FNO3S
Molecular Weight347.41 g/mol
Exact Mass347.10
IUPAC NameN-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NC(C)Cc1cc2ccccc2o1
InChIInChI=1S/C18H18FNO3S/c1-12-9-15(19)7-8-18(12)24(21,22)20-13(2)10-16-11-14-5-3-4-6-17(14)23-16/h3-9,11,13,20H,10H2,1-2H3
InChIKeyAYQHOQNPBSWMOL-UHFFFAOYSA-N
XLogP3.79
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-[1-(1-benzofuran-2-yl)propan-2-yl]thiophene-2-sulfonamide
CID 119104181
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3,4-dimethoxybenzenesulfonamide
CID 124760523
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 124759808
N-[2-(1-benzofuran-2-yl)-2-(dimethylamino)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 119106079
4-fluoro-2-methyl-N-[(2R)-1-(2-methylphenoxy)propan-2-yl]benzenesulfonamide
CID 100692263
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-methyl-2-propan-2-ylimidazole-4-sulfonamide
CID 124760277
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 124760702
3-[(4-fluoro-2-methylphenyl)sulfonylamino]butanethioamide
CID 62093527
N-[1-(1-benzofuran-2-yl)propan-2-yl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 119104185
1-[1-(1-benzofuran-2-yl)propan-2-yl]-3-[(4-fluorophenyl)methyl]urea
CID 119104199
4-fluoro-2-methyl-N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)-2-phenylethyl]benzenesulfonamide
CID 110322240

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide (CID 121021353) is N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NC(C)Cc1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is AYQHOQNPBSWMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO3S/c1-12-9-15(19)7-8-18(12)24(21,22)20-13(2)10-16-11-14-5-3-4-6-17(14)23-16/h3-9,11,13,20H,10H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide?
N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 347.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)propan-2-yl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 121021353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).