4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

C17H21FN4O2S — CID 113025897

IUPAC4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1F
InChIInChI=1S/C17H21FN4O2S/c1-13-11-15(4-5-16(13)18)25(23,24)20-17-6-3-14(12-19-17)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyYGDNPSJZGOSENX-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.08
Rot. Bonds4

About 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide

4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (PubChem CID 113025897) has the molecular formula C17H21FN4O2S and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
PubChem CID113025897
Molecular FormulaC17H21FN4O2S
Molecular Weight364.45 g/mol
Exact Mass364.14
IUPAC Name4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1F
InChIInChI=1S/C17H21FN4O2S/c1-13-11-15(4-5-16(13)18)25(23,24)20-17-6-3-14(12-19-17)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20)
InChIKeyYGDNPSJZGOSENX-UHFFFAOYSA-N
XLogP2.08
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
3,4-dimethyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024384
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040294
2,4-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025891
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
4-fluoro-3-methyl-N-[5-(2-methyl-2,3-dihydroindol-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113036671
4-methoxy-2,5-dimethyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025908
4-fluoro-3-methyl-N-(5-phenyl-2-pyridinyl)benzenesulfonamide
CID 110634665
N-[5-(cyclopentylamino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113024523
N-[5-(3,5-dimethylanilino)-2-pyridinyl]-4-fluoro-3-methylbenzenesulfonamide
CID 113032221
N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113025882
N-[5-(azepan-1-yl)-2-pyridinyl]-2,4,6-trimethylbenzenesulfonamide
CID 113031108

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide (CID 113025897) is 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
The InChIKey is YGDNPSJZGOSENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2S/c1-13-11-15(4-5-16(13)18)25(23,24)20-17-6-3-14(12-19-17)22-9-7-21(2)8-10-22/h3-6,11-12H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide?
4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide has a molecular weight of 364.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113025897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).