N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide

C23H21FN4O3S2 — CID 67607830

IUPACN-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OCC1CCN(c2nc3ccc(F)cc3s2)C1)c1ccccn1
InChIInChI=1S/C23H21FN4O3S2/c24-17-8-9-19-21(13-17)32-23(26-19)28-12-10-16(14-28)15-31-20-6-2-1-5-18(20)27-33(29,30)22-7-3-4-11-25-22/h1-9,11,13,16,27H,10,12,14-15H2
InChIKeyQZTXJRUCNBJKHI-UHFFFAOYSA-N
MW484.58 g/mol
LogP4.54
Rot. Bonds7

About N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide

N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide (PubChem CID 67607830) has the molecular formula C23H21FN4O3S2 and a molecular weight of 484.58 g/mol. Its IUPAC name is N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide
PubChem CID67607830
Molecular FormulaC23H21FN4O3S2
Molecular Weight484.58 g/mol
Exact Mass484.10
IUPAC NameN-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1OCC1CCN(c2nc3ccc(F)cc3s2)C1)c1ccccn1
InChIInChI=1S/C23H21FN4O3S2/c24-17-8-9-19-21(13-17)32-23(26-19)28-12-10-16(14-28)15-31-20-6-2-1-5-18(20)27-33(29,30)22-7-3-4-11-25-22/h1-9,11,13,16,27H,10,12,14-15H2
InChIKeyQZTXJRUCNBJKHI-UHFFFAOYSA-N
XLogP4.54
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide?
The IUPAC name of N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide (CID 67607830) is N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide.
What is the SMILES notation for N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide?
The canonical SMILES for N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide is O=S(=O)(Nc1ccccc1OCC1CCN(c2nc3ccc(F)cc3s2)C1)c1ccccn1.
What is the InChIKey of N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide?
The InChIKey is QZTXJRUCNBJKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S2/c24-17-8-9-19-21(13-17)32-23(26-19)28-12-10-16(14-28)15-31-20-6-2-1-5-18(20)27-33(29,30)22-7-3-4-11-25-22/h1-9,11,13,16,27H,10,12,14-15H2.
What are the key properties of N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide?
N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide has a molecular weight of 484.58 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(6-fluoro-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]methoxy]phenyl]pyridine-2-sulfonamide is sourced from PubChem (CID 67607830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).