N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

C22H22FNO2S — CID 93207182

IUPACN-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H](C)c2ccccc2F)cc1
InChIInChI=1S/C22H22FNO2S/c1-16-11-13-20(14-12-16)27(25,26)24(19-8-6-7-17(2)15-19)18(3)21-9-4-5-10-22(21)23/h4-15,18H,1-3H3/t18-/m0/s1
InChIKeyJJHIULKHOFCISW-SFHVURJKSA-N
MW383.49 g/mol
LogP5.40
Rot. Bonds5

About N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide

N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 93207182) has the molecular formula C22H22FNO2S and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
PubChem CID93207182
Molecular FormulaC22H22FNO2S
Molecular Weight383.49 g/mol
Exact Mass383.14
IUPAC NameN-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H](C)c2ccccc2F)cc1
InChIInChI=1S/C22H22FNO2S/c1-16-11-13-20(14-12-16)27(25,26)24(19-8-6-7-17(2)15-19)18(3)21-9-4-5-10-22(21)23/h4-15,18H,1-3H3/t18-/m0/s1
InChIKeyJJHIULKHOFCISW-SFHVURJKSA-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-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 42841653
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207668
2-fluoro-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93147507
3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023173
N-(3-methoxyphenyl)-4-methyl-N-[1-(2-methylphenyl)ethyl]benzenesulfonamide
CID 46021631
N-[1-(2-fluorophenyl)ethyl]-2-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 67283394
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
4-fluoro-N-[(1R)-1-(3-methylphenyl)ethyl]-N-phenylbenzenesulfonamide
CID 93207092
4-fluoro-N-[1-(2-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 42841650
4-fluoro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 93207219
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide (CID 93207182) is N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(c2cccc(C)c2)[C@@H](C)c2ccccc2F)cc1.
What is the InChIKey of N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is JJHIULKHOFCISW-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22FNO2S/c1-16-11-13-20(14-12-16)27(25,26)24(19-8-6-7-17(2)15-19)18(3)21-9-4-5-10-22(21)23/h4-15,18H,1-3H3/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide?
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-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-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 93207182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).