N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

C20H20FN3O2S — CID 113032221

IUPACN-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)nc2)c1
InChIInChI=1S/C20H20FN3O2S/c1-13-8-14(2)10-17(9-13)23-16-4-7-20(22-12-16)24-27(25,26)18-5-6-19(21)15(3)11-18/h4-12,23H,1-3H3,(H,22,24)
InChIKeyZKXZWLLZAHYOIU-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.69
Rot. Bonds5

About N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113032221) has the molecular formula C20H20FN3O2S and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113032221
Molecular FormulaC20H20FN3O2S
Molecular Weight385.46 g/mol
Exact Mass385.13
IUPAC NameN-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCc1cc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)nc2)c1
InChIInChI=1S/C20H20FN3O2S/c1-13-8-14(2)10-17(9-13)23-16-4-7-20(22-12-16)24-27(25,26)18-5-6-19(21)15(3)11-18/h4-12,23H,1-3H3,(H,22,24)
InChIKeyZKXZWLLZAHYOIU-UHFFFAOYSA-N
XLogP4.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-methoxy-3-methylbenzenesulfonamide
CID 113032223
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-ethoxybenzenesulfonamide
CID 113032235
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113020457
N-[5-(3-chloroanilino)-2-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113033338
N-[5-(3,4-difluoroanilino)-2-pyridinyl]-4-methoxybenzenesulfonamide
CID 113037637
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113032221) is N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is Cc1cc(C)cc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)nc2)c1.
What is the InChIKey of N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is ZKXZWLLZAHYOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2S/c1-13-8-14(2)10-17(9-13)23-16-4-7-20(22-12-16)24-27(25,26)18-5-6-19(21)15(3)11-18/h4-12,23H,1-3H3,(H,22,24).
What are the key properties of N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 385.46 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113032221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).