3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

C23H24FNO2S — CID 46023173

IUPAC3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C23H24FNO2S/c1-16-8-11-20(12-9-16)19(4)25(21-7-5-6-17(2)14-21)28(26,27)22-13-10-18(3)23(24)15-22/h5-15,19H,1-4H3
InChIKeyCCJBKNBTWHUDAG-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.71
Rot. Bonds5

About 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide

3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (PubChem CID 46023173) has the molecular formula C23H24FNO2S and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
PubChem CID46023173
Molecular FormulaC23H24FNO2S
Molecular Weight397.52 g/mol
Exact Mass397.15
IUPAC Name3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1
InChIInChI=1S/C23H24FNO2S/c1-16-8-11-20(12-9-16)19(4)25(21-7-5-6-17(2)14-21)28(26,27)22-13-10-18(3)23(24)15-22/h5-15,19H,1-4H3
InChIKeyCCJBKNBTWHUDAG-UHFFFAOYSA-N
XLogP5.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(4-methoxyphenyl)-4-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93207564
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-fluoro-4-methyl-N-phenylbenzenesulfonamide
CID 93147758
N-[(1S)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207182
N-(3-methylphenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]-3-nitrobenzenesulfonamide
CID 93207328
3-methoxy-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 46023170
3-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 93207668
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 93179193
N-(3-fluoro-4-methylphenyl)-N-[(1S)-1-phenylethyl]benzenesulfonamide
CID 93179150
N-(3-fluoro-4-methylphenyl)-3-nitro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 93207315
N-[1-(2-fluorophenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 42841653
4-methoxy-N-(3-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 93179170
4-fluoro-N-[1-(3-methoxyphenyl)ethyl]-N-(3-methylphenyl)benzenesulfonamide
CID 46022138

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide (CID 46023173) is 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is Cc1ccc(C(C)N(c2cccc(C)c2)S(=O)(=O)c2ccc(C)c(F)c2)cc1.
What is the InChIKey of 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
The InChIKey is CCJBKNBTWHUDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FNO2S/c1-16-8-11-20(12-9-16)19(4)25(21-7-5-6-17(2)14-21)28(26,27)22-13-10-18(3)23(24)15-22/h5-15,19H,1-4H3.
What are the key properties of 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide?
3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide has a molecular weight of 397.52 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(3-methylphenyl)-N-[1-(4-methylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 46023173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).