N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide

C16H14ClNO3S — CID 9189709

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C16H14ClNO3S/c1-11(15-10-12-6-2-4-8-14(12)21-15)18-22(19,20)16-9-5-3-7-13(16)17/h2-11,18H,1H3/t11-/m1/s1
InChIKeyBOJRCRVRUPKWFN-LLVKDONJSA-N
MW335.81 g/mol
LogP4.13
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide (PubChem CID 9189709) has the molecular formula C16H14ClNO3S and a molecular weight of 335.81 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide
PubChem CID9189709
Molecular FormulaC16H14ClNO3S
Molecular Weight335.81 g/mol
Exact Mass335.04
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2o1
InChIInChI=1S/C16H14ClNO3S/c1-11(15-10-12-6-2-4-8-14(12)21-15)18-22(19,20)16-9-5-3-7-13(16)17/h2-11,18H,1H3/t11-/m1/s1
InChIKeyBOJRCRVRUPKWFN-LLVKDONJSA-N
XLogP4.13
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-2-fluorobenzenesulfonamide
CID 9189725
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 9189706
3-N-[1-(1-benzofuran-2-yl)ethyl]benzene-1,3-disulfonamide
CID 86916872
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxybenzenesulfonamide
CID 9189772
2-[1-(1-benzofuran-2-yl)ethylsulfamoyl]propanoic acid
CID 61454837
2-chloro-N-(1-pyridin-4-ylethyl)benzenesulfonamide
CID 4827426
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 55389871
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-4-chloro-3-(cyclopropylsulfamoyl)benzamide
CID 9368958
ethyl 4-[[(1S)-1-(1-benzofuran-2-yl)ethyl]sulfamoyl]benzoate
CID 9189690
2-chloro-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]benzenesulfonamide
CID 9356180
N-[1-(1-benzofuran-2-yl)ethyl]-2-chloro-4-methylaniline
CID 43122562
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 26535267

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide (CID 9189709) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccccc1Cl)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide?
The InChIKey is BOJRCRVRUPKWFN-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14ClNO3S/c1-11(15-10-12-6-2-4-8-14(12)21-15)18-22(19,20)16-9-5-3-7-13(16)17/h2-11,18H,1H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide has a molecular weight of 335.81 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 9189709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).