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

C22H21F3N2O3S2 — CID 20934669

IUPAC3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H21F3N2O3S2/c23-17-1-3-18(4-2-17)27(32(28,29)20-5-6-21(24)22(25)12-20)14-19-11-16(15-31-19)13-26-7-9-30-10-8-26/h1-6,11-12,15H,7-10,13-14H2
InChIKeyVBRSUCJWYAIHCP-UHFFFAOYSA-N
MW482.55 g/mol
LogP4.39
Rot. Bonds7

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

3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (PubChem CID 20934669) has the molecular formula C22H21F3N2O3S2 and a molecular weight of 482.55 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
PubChem CID20934669
Molecular FormulaC22H21F3N2O3S2
Molecular Weight482.55 g/mol
Exact Mass482.09
IUPAC Name3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)c(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1
InChIInChI=1S/C22H21F3N2O3S2/c23-17-1-3-18(4-2-17)27(32(28,29)20-5-6-21(24)22(25)12-20)14-19-11-16(15-31-19)13-26-7-9-30-10-8-26/h1-6,11-12,15H,7-10,13-14H2
InChIKeyVBRSUCJWYAIHCP-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

Analyze 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide with MolForge

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Related Compounds

2H-Thieno[3,2-e]-1,2-thiazine-6-sulfonamide 1,1-dioxide 30
CID 19434012
N-[4-(4-morpholinyl)phenyl]-2-thiophenesulfonamide
CID 779290
N-(1-benzothiophen-2-yl)-N-butyl-4-morpholin-4-ylbenzenesulfonamide
CID 57920469
N-(3-methyl-1-benzothiophen-2-yl)-4-morpholin-4-yl-N-(5,5,5-trifluoropentyl)benzenesulfonamide
CID 66906947
N-benzyl-2-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-phenylacetamide
CID 24980788
1-(3-Fluorophenyl)-3-methoxy-7-thiophen-2-ylsulfonyl-1,7-diazaspiro[3.5]nonane
CID 124077206
4-[4-[1-[2-(2,4-Difluorophenyl)ethyl]-4-fluoropiperidin-4-yl]sulfonylphenyl]morpholine
CID 44216199
N-[4-(morpholin-4-yl)benzyl]thiophene-2-sulfonamide
CID 2814956
2-methoxy-N-phenyl-N-(thiophen-3-ylmethyl)ethanesulfonamide
CID 72129989
5-(benzenesulfonyl)-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 2813492
US20250115569, Example 89
CID 169786676
US20250115569, Example 90
CID 169932107

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide (CID 20934669) is 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is O=S(=O)(c1ccc(F)c(F)c1)N(Cc1cc(CN2CCOCC2)cs1)c1ccc(F)cc1.
What is the InChIKey of 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
The InChIKey is VBRSUCJWYAIHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2O3S2/c23-17-1-3-18(4-2-17)27(32(28,29)20-5-6-21(24)22(25)12-20)14-19-11-16(15-31-19)13-26-7-9-30-10-8-26/h1-6,11-12,15H,7-10,13-14H2.
What are the key properties of 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide?
3,4-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 3,4-difluoro-N-(4-fluorophenyl)-N-[[4-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 20934669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).