4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide

C22H21F2N3O3S — CID 175108751

IUPAC4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccc(F)cc1)c1cccnc1C1CNCCO1
InChIInChI=1S/C22H21F2N3O3S/c23-17-5-3-16(4-6-17)15-27(31(28,29)19-9-7-18(24)8-10-19)20-2-1-11-26-22(20)21-14-25-12-13-30-21/h1-11,21,25H,12-15H2
InChIKeyBUKQJJSWLBZQJX-UHFFFAOYSA-N
MW445.49 g/mol
LogP3.42
Rot. Bonds6

About 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide

4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide (PubChem CID 175108751) has the molecular formula C22H21F2N3O3S and a molecular weight of 445.49 g/mol. Its IUPAC name is 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide
PubChem CID175108751
Molecular FormulaC22H21F2N3O3S
Molecular Weight445.49 g/mol
Exact Mass445.13
IUPAC Name4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(Cc1ccc(F)cc1)c1cccnc1C1CNCCO1
InChIInChI=1S/C22H21F2N3O3S/c23-17-5-3-16(4-6-17)15-27(31(28,29)19-9-7-18(24)8-10-19)20-2-1-11-26-22(20)21-14-25-12-13-30-21/h1-11,21,25H,12-15H2
InChIKeyBUKQJJSWLBZQJX-UHFFFAOYSA-N
XLogP3.42
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide (CID 175108751) is 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(Cc1ccc(F)cc1)c1cccnc1C1CNCCO1.
What is the InChIKey of 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide?
The InChIKey is BUKQJJSWLBZQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O3S/c23-17-5-3-16(4-6-17)15-27(31(28,29)19-9-7-18(24)8-10-19)20-2-1-11-26-22(20)21-14-25-12-13-30-21/h1-11,21,25H,12-15H2.
What are the key properties of 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide?
4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide has a molecular weight of 445.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(4-fluorophenyl)methyl]-N-(2-morpholin-2-yl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 175108751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).