N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide

C17H19FN2O5S2 — CID 3626119

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C17H19FN2O5S2/c1-13-2-5-15(6-3-13)26(21,22)19-14-4-7-16(18)17(12-14)27(23,24)20-8-10-25-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyTUTUIRCXFRZFFG-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.96
Rot. Bonds5

About N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide (PubChem CID 3626119) has the molecular formula C17H19FN2O5S2 and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide
PubChem CID3626119
Molecular FormulaC17H19FN2O5S2
Molecular Weight414.48 g/mol
Exact Mass414.07
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C17H19FN2O5S2/c1-13-2-5-15(6-3-13)26(21,22)19-14-4-7-16(18)17(12-14)27(23,24)20-8-10-25-11-9-20/h2-7,12,19H,8-11H2,1H3
InChIKeyTUTUIRCXFRZFFG-UHFFFAOYSA-N
XLogP1.96
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide (CID 3626119) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is TUTUIRCXFRZFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S2/c1-13-2-5-15(6-3-13)26(21,22)19-14-4-7-16(18)17(12-14)27(23,24)20-8-10-25-11-9-20/h2-7,12,19H,8-11H2,1H3.
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 414.48 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3626119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).