2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide

C22H21F3N2O3S2 — CID 20934671

IUPAC2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H21F3N2O3S2/c23-17-1-4-19(5-2-17)27(32(28,29)22-6-3-18(24)12-21(22)25)14-20-11-16(15-31-20)13-26-7-9-30-10-8-26/h1-6,11-12,15H,7-10,13-14H2
InChIKeyXMIKKCVCKUXPAZ-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.39
Rot. Bonds7

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

2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 20934671) has the molecular formula C22H21F3N2O3S2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID20934671
Molecular FormulaC22H21F3N2O3S2
Molecular Weight482.55 g/mol
Exact Mass482.09
IUPAC Name2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1F)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H21F3N2O3S2/c23-17-1-4-19(5-2-17)27(32(28,29)22-6-3-18(24)12-21(22)25)14-20-11-16(15-31-20)13-26-7-9-30-10-8-26/h1-6,11-12,15H,7-10,13-14H2
InChIKeyXMIKKCVCKUXPAZ-UHFFFAOYSA-N
XLogP4.39
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.55
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 20934671) is 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(F)cc1F)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1.
What is the InChIKey of 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is XMIKKCVCKUXPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3S2/c23-17-1-4-19(5-2-17)27(32(28,29)22-6-3-18(24)12-21(22)25)14-20-11-16(15-31-20)13-26-7-9-30-10-8-26/h1-6,11-12,15H,7-10,13-14H2.
What are the key properties of 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide has a molecular weight of 482.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20934671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).