N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

C24H21FN2O3S2 — CID 26330935

IUPACN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1
InChIInChI=1S/C24H21FN2O3S2/c25-21-6-3-5-20(15-21)18-30-23-11-9-19(10-12-23)16-27(17-22-7-1-2-13-26-22)32(28,29)24-8-4-14-31-24/h1-15H,16-18H2
InChIKeyZULQGVPLYKGIAT-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.25
Rot. Bonds9

About N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide

N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (PubChem CID 26330935) has the molecular formula C24H21FN2O3S2 and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
PubChem CID26330935
Molecular FormulaC24H21FN2O3S2
Molecular Weight468.58 g/mol
Exact Mass468.10
IUPAC NameN-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1
InChIInChI=1S/C24H21FN2O3S2/c25-21-6-3-5-20(15-21)18-30-23-11-9-19(10-12-23)16-27(17-22-7-1-2-13-26-22)32(28,29)24-8-4-14-31-24/h1-15H,16-18H2
InChIKeyZULQGVPLYKGIAT-UHFFFAOYSA-N
XLogP5.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The IUPAC name of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide (CID 26330935) is N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is O=S(=O)(c1cccs1)N(Cc1ccc(OCc2cccc(F)c2)cc1)Cc1ccccn1.
What is the InChIKey of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
The InChIKey is ZULQGVPLYKGIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O3S2/c25-21-6-3-5-20(15-21)18-30-23-11-9-19(10-12-23)16-27(17-22-7-1-2-13-26-22)32(28,29)24-8-4-14-31-24/h1-15H,16-18H2.
What are the key properties of N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide?
N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide has a molecular weight of 468.58 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-fluorophenyl)methoxy]phenyl]methyl]-N-(pyridin-2-ylmethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 26330935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).