4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide

C21H22FN3O2S — CID 113017944

IUPAC4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(C)c(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cn2)c(C)c1
InChIInChI=1S/C21H22FN3O2S/c1-13-9-15(3)21(16(4)10-13)24-20-8-5-17(12-23-20)25-28(26,27)18-6-7-19(22)14(2)11-18/h5-12,25H,1-4H3,(H,23,24)
InChIKeyXMSFFLMWTXODJY-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.00
Rot. Bonds5

About 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide

4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113017944) has the molecular formula C21H22FN3O2S and a molecular weight of 399.49 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
PubChem CID113017944
Molecular FormulaC21H22FN3O2S
Molecular Weight399.49 g/mol
Exact Mass399.14
IUPAC Name4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
SMILESCc1cc(C)c(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cn2)c(C)c1
InChIInChI=1S/C21H22FN3O2S/c1-13-9-15(3)21(16(4)10-13)24-20-8-5-17(12-23-20)25-28(26,27)18-6-7-19(22)14(2)11-18/h5-12,25H,1-4H3,(H,23,24)
InChIKeyXMSFFLMWTXODJY-UHFFFAOYSA-N
XLogP5.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

4-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017941
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113020457
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
4-chloro-N-[6-(2,6-difluoroanilino)-3-pyridinyl]benzenesulfonamide
CID 113023175

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide (CID 113017944) is 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide is Cc1cc(C)c(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cn2)c(C)c1.
What is the InChIKey of 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is XMSFFLMWTXODJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2S/c1-13-9-15(3)21(16(4)10-13)24-20-8-5-17(12-23-20)25-28(26,27)18-6-7-19(22)14(2)11-18/h5-12,25H,1-4H3,(H,23,24).
What are the key properties of 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 399.49 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113017944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).