N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide

C21H19ClFNO3S — CID 93207265

IUPACN-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1[C@@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19ClFNO3S/c1-15(20-8-3-4-9-21(20)27-2)24(18-7-5-6-16(22)14-18)28(25,26)19-12-10-17(23)11-13-19/h3-15H,1-2H3/t15-/m1/s1
InChIKeyOBPNPWXSFDDBQR-OAHLLOKOSA-N
MW419.91 g/mol
LogP5.44
Rot. Bonds6

About N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide

N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 93207265) has the molecular formula C21H19ClFNO3S and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID93207265
Molecular FormulaC21H19ClFNO3S
Molecular Weight419.91 g/mol
Exact Mass419.08
IUPAC NameN-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1[C@@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H19ClFNO3S/c1-15(20-8-3-4-9-21(20)27-2)24(18-7-5-6-16(22)14-18)28(25,26)19-12-10-17(23)11-13-19/h3-15H,1-2H3/t15-/m1/s1
InChIKeyOBPNPWXSFDDBQR-OAHLLOKOSA-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

N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 46022772
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 42841669
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-(3-methylphenyl)-4-nitrobenzenesulfonamide
CID 93207489
N-(3-fluorophenyl)-4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 93207337
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 93207470
N-[1-(2-methoxyphenyl)ethyl]-4-nitro-N-phenylbenzenesulfonamide
CID 42841873
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
4-chloro-N-(4-chlorophenyl)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 93207154
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 93207265) is N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccccc1[C@@H](C)N(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is OBPNPWXSFDDBQR-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H19ClFNO3S/c1-15(20-8-3-4-9-21(20)27-2)24(18-7-5-6-16(22)14-18)28(25,26)19-12-10-17(23)11-13-19/h3-15H,1-2H3/t15-/m1/s1.
What are the key properties of N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]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 N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 93207265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).