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

C22H22FNO2S — CID 67283394

IUPACN-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H22FNO2S/c1-16-12-14-19(15-13-16)24(18(3)20-9-5-6-10-21(20)23)27(25,26)22-11-7-4-8-17(22)2/h4-15,18H,1-3H3
InChIKeyUOXQHRHSOZOOCP-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.40
Rot. Bonds5

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

N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide (PubChem CID 67283394) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
PubChem CID67283394
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
SMILESCc1ccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccccc2C)cc1
InChIInChI=1S/C22H22FNO2S/c1-16-12-14-19(15-13-16)24(18(3)20-9-5-6-10-21(20)23)27(25,26)22-11-7-4-8-17(22)2/h4-15,18H,1-3H3
InChIKeyUOXQHRHSOZOOCP-UHFFFAOYSA-N
XLogP5.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 46023211
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93147507
3-chloro-N-(4-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 42842020
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207182
3-chloro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842026
4-chloro-N-(4-fluorophenyl)-N-[(1R)-1-(2-fluorophenyl)ethyl]benzenesulfonamide
CID 93207173
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(3-methoxyphenyl)-2-methylbenzenesulfonamide
CID 42842037
N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 42841653
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluoro-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 93147752
N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)methanesulfonamide
CID 42841820
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207668

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide (CID 67283394) is N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide is Cc1ccc(N(C(C)c2ccccc2F)S(=O)(=O)c2ccccc2C)cc1.
What is the InChIKey of N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
The InChIKey is UOXQHRHSOZOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO2S/c1-16-12-14-19(15-13-16)24(18(3)20-9-5-6-10-21(20)23)27(25,26)22-11-7-4-8-17(22)2/h4-15,18H,1-3H3.
What are the key properties of N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide?
N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide has a molecular weight of 383.49 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 67283394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).