N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide

C16H13ClFNO3S — CID 9189725

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1cc2ccccc2o1
InChIInChI=1S/C16H13ClFNO3S/c1-10(15-8-11-4-2-3-5-14(11)22-15)19-23(20,21)16-7-6-12(17)9-13(16)18/h2-10,19H,1H3/t10-/m0/s1
InChIKeyGNSXFAHERAXJIX-JTQLQIEISA-N
MW353.80 g/mol
LogP4.26
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide (PubChem CID 9189725) has the molecular formula C16H13ClFNO3S and a molecular weight of 353.80 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide
PubChem CID9189725
Molecular FormulaC16H13ClFNO3S
Molecular Weight353.80 g/mol
Exact Mass353.03
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide
SMILESC[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1cc2ccccc2o1
InChIInChI=1S/C16H13ClFNO3S/c1-10(15-8-11-4-2-3-5-14(11)22-15)19-23(20,21)16-7-6-12(17)9-13(16)18/h2-10,19H,1H3/t10-/m0/s1
InChIKeyGNSXFAHERAXJIX-JTQLQIEISA-N
XLogP4.26
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 9189706
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide
CID 9189709
1-(1-benzofuran-2-yl)-N-[(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114750476
1-(1-benzofuran-2-yl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 115761517
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 26535267
N-[(2S)-1-(1-benzofuran-2-yl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 124891791
N-(1-aminopropan-2-yl)-4-chloro-2-fluorobenzenesulfonamide
CID 63731769
N-[1-(4-chlorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 3816054
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] 4-chloro-2-fluorobenzoate
CID 8664503
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
4-chloro-2-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzenesulfonamide
CID 79255603

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide (CID 9189725) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide is C[C@H](NS(=O)(=O)c1ccc(Cl)cc1F)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide?
The InChIKey is GNSXFAHERAXJIX-JTQLQIEISA-N. The full InChI is InChI=1S/C16H13ClFNO3S/c1-10(15-8-11-4-2-3-5-14(11)22-15)19-23(20,21)16-7-6-12(17)9-13(16)18/h2-10,19H,1H3/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide has a molecular weight of 353.80 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 9189725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).