2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

C19H21FN4O2S2 — CID 20647096

IUPAC2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F
InChIInChI=1S/C19H21FN4O2S2/c20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16/h2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24)
InChIKeyGGTCHICZQOKVQQ-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.90
Rot. Bonds10

About 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide

2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (PubChem CID 20647096) has the molecular formula C19H21FN4O2S2 and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
PubChem CID20647096
Molecular FormulaC19H21FN4O2S2
Molecular Weight420.54 g/mol
Exact Mass420.11
IUPAC Name2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide
SMILESO=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F
InChIInChI=1S/C19H21FN4O2S2/c20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16/h2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24)
InChIKeyGGTCHICZQOKVQQ-UHFFFAOYSA-N
XLogP3.90
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide (CID 20647096) is 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is O=S(=O)(NCCCCCNc1nc(-c2ccccn2)cs1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
The InChIKey is GGTCHICZQOKVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S2/c20-15-8-2-3-10-18(15)28(25,26)23-13-6-1-5-12-22-19-24-17(14-27-19)16-9-4-7-11-21-16/h2-4,7-11,14,23H,1,5-6,12-13H2,(H,22,24).
What are the key properties of 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide?
2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide has a molecular weight of 420.54 g/mol, XLogP of 3.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]benzenesulfonamide is sourced from PubChem (CID 20647096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).