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

C16H20FN3O2S — CID 113024046

IUPACN-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C16H20FN3O2S/c1-3-4-9-18-13-5-8-16(19-11-13)20-23(21,22)14-6-7-15(17)12(2)10-14/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyYAFZPEASNUQMDG-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.54
Rot. Bonds7

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

N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (PubChem CID 113024046) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
PubChem CID113024046
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC NameN-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
SMILESCCCCNc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1
InChIInChI=1S/C16H20FN3O2S/c1-3-4-9-18-13-5-8-16(19-11-13)20-23(21,22)14-6-7-15(17)12(2)10-14/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyYAFZPEASNUQMDG-UHFFFAOYSA-N
XLogP3.54
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]-4-fluorobenzenesulfonamide
CID 113024035
4-fluoro-N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]-3-methylbenzenesulfonamide
CID 113027151
4-chloro-N-[5-(pentylamino)-2-pyridinyl]benzenesulfonamide
CID 113030458
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[5-(dipropylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113030968
N-[6-(benzylamino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113011508
N-[6-(4-chloroanilino)-3-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113018657
N-[5-(butylamino)-2-pyridinyl]-4-propan-2-yloxybenzenesulfonamide
CID 113024078
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
4-fluoro-3-methyl-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017944

Frequently Asked Questions

What is the IUPAC name of N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The IUPAC name of N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide (CID 113024046) is N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is CCCCNc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)nc1.
What is the InChIKey of N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
The InChIKey is YAFZPEASNUQMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-3-4-9-18-13-5-8-16(19-11-13)20-23(21,22)14-6-7-15(17)12(2)10-14/h5-8,10-11,18H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide?
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide has a molecular weight of 337.42 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide is sourced from PubChem (CID 113024046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).