3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide

C16H16F2N2O5S2 — CID 22203318

IUPAC3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O5S2/c17-15-5-4-13(11-16(15)18)26(21,22)19-12-2-1-3-14(10-12)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyMTHOEDVBNHHUMA-UHFFFAOYSA-N
MW418.44 g/mol
LogP1.79
Rot. Bonds5

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

3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (PubChem CID 22203318) has the molecular formula C16H16F2N2O5S2 and a molecular weight of 418.44 g/mol. Its IUPAC name is 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
PubChem CID22203318
Molecular FormulaC16H16F2N2O5S2
Molecular Weight418.44 g/mol
Exact Mass418.05
IUPAC Name3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O5S2/c17-15-5-4-13(11-16(15)18)26(21,22)19-12-2-1-3-14(10-12)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9H2
InChIKeyMTHOEDVBNHHUMA-UHFFFAOYSA-N
XLogP1.79
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
4-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 26952653
3-chloro-4-fluoro-N-(3-morpholin-4-ylphenyl)benzenesulfonamide
CID 55891189
1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203328
N-(3-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 7996091
2-chloro-4,5-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4803040
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
N-methyl-3-morpholin-4-ylsulfonylbenzenesulfonamide
CID 49236430
N-[3-(azepan-1-ylsulfonyl)phenyl]benzenesulfonamide
CID 2919639
3,4-dimethyl-N-(3-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 71903183
4-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzenesulfonamide
CID 3508166
N-[3-(azepan-1-ylsulfonyl)phenyl]-2,4-difluorobenzenesulfonamide
CID 4996463

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide (CID 22203318) is 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is O=S(=O)(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
The InChIKey is MTHOEDVBNHHUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O5S2/c17-15-5-4-13(11-16(15)18)26(21,22)19-12-2-1-3-14(10-12)27(23,24)20-6-8-25-9-7-20/h1-5,10-11,19H,6-9H2.
What are the key properties of 3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide?
3,4-difluoro-N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide has a molecular weight of 418.44 g/mol, XLogP of 1.79, 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-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide is sourced from PubChem (CID 22203318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).