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

C22H22F2N2O3S2 — CID 20934679

IUPAC3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1cccc(F)c1
InChIInChI=1S/C22H22F2N2O3S2/c23-18-3-1-5-20(12-18)26(31(27,28)22-6-2-4-19(24)13-22)15-21-11-17(16-30-21)14-25-7-9-29-10-8-25/h1-6,11-13,16H,7-10,14-15H2
InChIKeyHPBFTBHOXUKMAJ-UHFFFAOYSA-N
MW464.56 g/mol
LogP4.25
Rot. Bonds7

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

3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 20934679) has the molecular formula C22H22F2N2O3S2 and a molecular weight of 464.56 g/mol. Its IUPAC name is 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID20934679
Molecular FormulaC22H22F2N2O3S2
Molecular Weight464.56 g/mol
Exact Mass464.10
IUPAC Name3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1cccc(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1cccc(F)c1
InChIInChI=1S/C22H22F2N2O3S2/c23-18-3-1-5-20(12-18)26(31(27,28)22-6-2-4-19(24)13-22)15-21-11-17(16-30-21)14-25-7-9-29-10-8-25/h1-6,11-13,16H,7-10,14-15H2
InChIKeyHPBFTBHOXUKMAJ-UHFFFAOYSA-N
XLogP4.25
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.56
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 20934679) is 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(c1cccc(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is HPBFTBHOXUKMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O3S2/c23-18-3-1-5-20(12-18)26(31(27,28)22-6-2-4-19(24)13-22)15-21-11-17(16-30-21)14-25-7-9-29-10-8-25/h1-6,11-13,16H,7-10,14-15H2.
What are the key properties of 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 464.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20934679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).