2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide

C21H19ClFNO3S — CID 93207276

IUPAC2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H19ClFNO3S/c1-15(16-7-9-17(23)10-8-16)24(18-11-13-19(27-2)14-12-18)28(25,26)21-6-4-3-5-20(21)22/h3-15H,1-2H3/t15-/m0/s1
InChIKeyVZDLIAPRIFOXKS-HNNXBMFYSA-N
MW419.91 g/mol
LogP5.44
Rot. Bonds6

About 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide

2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 93207276) has the molecular formula C21H19ClFNO3S and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID93207276
Molecular FormulaC21H19ClFNO3S
Molecular Weight419.91 g/mol
Exact Mass419.08
IUPAC Name2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C21H19ClFNO3S/c1-15(16-7-9-17(23)10-8-16)24(18-11-13-19(27-2)14-12-18)28(25,26)21-6-4-3-5-20(21)22/h3-15H,1-2H3/t15-/m0/s1
InChIKeyVZDLIAPRIFOXKS-HNNXBMFYSA-N
XLogP5.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.91
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
5-chloro-2-fluoro-N-(4-methoxyphenyl)-N-(1-phenylethyl)benzenesulfonamide
CID 46023144
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842026
3-chloro-4-fluoro-N-(4-methoxyphenyl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207679
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 42842020
3-fluoro-N-(4-methoxyphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023164
3-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93207690
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
2-chloro-N-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 46022483

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 93207276) is 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(N([C@@H](C)c2ccc(F)cc2)S(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is VZDLIAPRIFOXKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19ClFNO3S/c1-15(16-7-9-17(23)10-8-16)24(18-11-13-19(27-2)14-12-18)28(25,26)21-6-4-3-5-20(21)22/h3-15H,1-2H3/t15-/m0/s1.
What are the key properties of 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide?
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 419.91 g/mol, XLogP of 5.44, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 93207276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).