2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

C16H16F2N2O3S — CID 2398321

IUPAC2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O3S/c17-12-1-6-16(15(18)11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyAPIPENOFULMXFA-UHFFFAOYSA-N
MW354.38 g/mol
LogP2.60
Rot. Bonds4

About 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide

2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (PubChem CID 2398321) has the molecular formula C16H16F2N2O3S and a molecular weight of 354.38 g/mol. Its IUPAC name is 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
PubChem CID2398321
Molecular FormulaC16H16F2N2O3S
Molecular Weight354.38 g/mol
Exact Mass354.08
IUPAC Name2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N2O3S/c17-12-1-6-16(15(18)11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2
InChIKeyAPIPENOFULMXFA-UHFFFAOYSA-N
XLogP2.60
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(4-Benzenesulfonamidophenyl)piperazine
CID 11849789
4-fluoro-N-[2-(1-piperidinyl)phenyl]benzenesulfonamide
CID 2814221
1-[3-[(2-Fluorophenyl)sulfamoyl]phenyl]-3-(2-morpholin-4-ylethyl)thiourea
CID 3499709
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 4824613
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 2105725
N-(4-Morpholin-4-yl-phenyl)-2-nitrobenzenesulfonamide
CID 1118418
(E)-N-(4-morpholin-4-ylphenyl)-2-phenylethenesulfonamide
CID 711393
N-(4-Piperidin-1-yl-phenyl)-benzenesulfonamide
CID 735886
2,4-difluoro-N-(2-piperidin-1-ylphenyl)benzenesulfonamide
CID 2394228
1-(2-fluorophenyl)sulfonyl-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 2450449
2-[(2-fluorophenyl)sulfonylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2594456

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide (CID 2398321) is 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
The InChIKey is APIPENOFULMXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O3S/c17-12-1-6-16(15(18)11-12)24(21,22)19-13-2-4-14(5-3-13)20-7-9-23-10-8-20/h1-6,11,19H,7-10H2.
What are the key properties of 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide?
2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide has a molecular weight of 354.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(4-morpholin-4-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 2398321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).