3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C17H18F2N2O5S2 — CID 4626413

IUPAC3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O5S2/c1-12-2-3-14(28(24,25)21-6-8-26-9-7-21)11-17(12)20-27(22,23)13-4-5-15(18)16(19)10-13/h2-5,10-11,20H,6-9H2,1H3
InChIKeyYZVMKPLUBCAVMF-UHFFFAOYSA-N
MW432.47 g/mol
LogP2.09
Rot. Bonds5

About 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 4626413) has the molecular formula C17H18F2N2O5S2 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID4626413
Molecular FormulaC17H18F2N2O5S2
Molecular Weight432.47 g/mol
Exact Mass432.06
IUPAC Name3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O5S2/c1-12-2-3-14(28(24,25)21-6-8-26-9-7-21)11-17(12)20-27(22,23)13-4-5-15(18)16(19)10-13/h2-5,10-11,20H,6-9H2,1H3
InChIKeyYZVMKPLUBCAVMF-UHFFFAOYSA-N
XLogP2.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 4626413) is 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is YZVMKPLUBCAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O5S2/c1-12-2-3-14(28(24,25)21-6-8-26-9-7-21)11-17(12)20-27(22,23)13-4-5-15(18)16(19)10-13/h2-5,10-11,20H,6-9H2,1H3.
What are the key properties of 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 432.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 4626413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).