N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

C20H18FN3O3S — CID 113020457

IUPACN-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cn2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-13-11-18(8-9-19(13)21)28(26,27)24-17-7-10-20(22-12-17)23-16-5-3-15(4-6-16)14(2)25/h3-12,24H,1-2H3,(H,22,23)
InChIKeyGKDMIDBTGWQBLI-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.28
Rot. Bonds6

About N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide

N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113020457) has the molecular formula C20H18FN3O3S and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113020457
Molecular FormulaC20H18FN3O3S
Molecular Weight399.45 g/mol
Exact Mass399.11
IUPAC NameN-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCC(=O)c1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cn2)cc1
InChIInChI=1S/C20H18FN3O3S/c1-13-11-18(8-9-19(13)21)28(26,27)24-17-7-10-20(22-12-17)23-16-5-3-15(4-6-16)14(2)25/h3-12,24H,1-2H3,(H,22,23)
InChIKeyGKDMIDBTGWQBLI-UHFFFAOYSA-N
XLogP4.28
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944
N-[6-(3,4-difluoroanilino)-3-pyridinyl]-3,4-dimethylbenzenesulfonamide
CID 113023268
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)benzamide
CID 42053342
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046
3-acetyl-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62813585
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
6-(4-acetylanilino)-N,N-dimethylpyridine-3-sulfonamide
CID 5267682

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113020457) is N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is CC(=O)c1ccc(Nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cn2)cc1.
What is the InChIKey of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is GKDMIDBTGWQBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3S/c1-13-11-18(8-9-19(13)21)28(26,27)24-17-7-10-20(22-12-17)23-16-5-3-15(4-6-16)14(2)25/h3-12,24H,1-2H3,(H,22,23).
What are the key properties of N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 399.45 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113020457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).