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

C21H20FNO3S — CID 42841669

IUPACN-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1C(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20FNO3S/c1-16(20-10-6-7-11-21(20)26-2)23(18-14-12-17(22)13-15-18)27(24,25)19-8-4-3-5-9-19/h3-16H,1-2H3
InChIKeySHQRDXDMAMDTQR-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.79
Rot. Bonds6

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

N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (PubChem CID 42841669) has the molecular formula C21H20FNO3S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
PubChem CID42841669
Molecular FormulaC21H20FNO3S
Molecular Weight385.46 g/mol
Exact Mass385.11
IUPAC NameN-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccccc1C(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H20FNO3S/c1-16(20-10-6-7-11-21(20)26-2)23(18-14-12-17(22)13-15-18)27(24,25)19-8-4-3-5-9-19/h3-16H,1-2H3
InChIKeySHQRDXDMAMDTQR-UHFFFAOYSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-(3-chlorophenyl)-4-fluoro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 93207265
N-[1-(2-methoxyphenyl)ethyl]-4-nitro-N-phenylbenzenesulfonamide
CID 42841873
N-(3-fluorophenyl)-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 46022772
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
4-fluoro-N-[1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46022049
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-fluoro-N-(4-fluorophenyl)-4-methylbenzenesulfonamide
CID 93207596
4-fluoro-N-[(1S)-1-(4-methoxyphenyl)ethyl]-N-(4-methylphenyl)benzenesulfonamide
CID 93207194
N-[(1S)-1-(2-methoxyphenyl)ethyl]-N-(3-methylphenyl)-4-nitrobenzenesulfonamide
CID 93207489
4-fluoro-N-phenyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 3741145
N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide (CID 42841669) is N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is COc1ccccc1C(C)N(c1ccc(F)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
The InChIKey is SHQRDXDMAMDTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FNO3S/c1-16(20-10-6-7-11-21(20)26-2)23(18-14-12-17(22)13-15-18)27(24,25)19-8-4-3-5-9-19/h3-16H,1-2H3.
What are the key properties of N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide?
N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 42841669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).