4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide

C17H20FN3O2S — CID 113024649

IUPAC4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)ccc1F
InChIInChI=1S/C17H20FN3O2S/c1-13-11-15(6-7-16(13)18)24(22,23)20-17-8-5-14(12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyWQPIAHVJIKTNPW-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.32
Rot. Bonds4

About 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide

4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide (PubChem CID 113024649) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
PubChem CID113024649
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)ccc1F
InChIInChI=1S/C17H20FN3O2S/c1-13-11-15(6-7-16(13)18)24(22,23)20-17-8-5-14(12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)
InChIKeyWQPIAHVJIKTNPW-UHFFFAOYSA-N
XLogP3.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 113031119
4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113036671
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
4-methoxy-2,5-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024403
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[5-(azepan-1-yl)-2-pyridinyl]-2-methoxy-5-methylbenzenesulfonamide
CID 113031113
N-[5-(azepan-1-yl)-2-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113031132
N-[5-(butylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024046

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide (CID 113024649) is 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3CCCCC3)cn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
The InChIKey is WQPIAHVJIKTNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-13-11-15(6-7-16(13)18)24(22,23)20-17-8-5-14(12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20).
What are the key properties of 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide?
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide has a molecular weight of 349.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 113024649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).