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

C17H19FN2O5S2 — CID 55353367

IUPACN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C17H19FN2O5S2/c1-13-3-2-4-15(11-13)26(21,22)19-14-5-6-16(18)17(12-14)27(23,24)20-7-9-25-10-8-20/h2-6,11-12,19H,7-10H2,1H3
InChIKeyASDVLYIZAKPAJL-UHFFFAOYSA-N
MW414.48 g/mol
LogP1.96
Rot. Bonds5

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

N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide (PubChem CID 55353367) 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)-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide
PubChem CID55353367
Molecular FormulaC17H19FN2O5S2
Molecular Weight414.48 g/mol
Exact Mass414.07
IUPAC NameN-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide
SMILESCc1cccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1
InChIInChI=1S/C17H19FN2O5S2/c1-13-3-2-4-15(11-13)26(21,22)19-14-5-6-16(18)17(12-14)27(23,24)20-7-9-25-10-8-20/h2-6,11-12,19H,7-10H2,1H3
InChIKeyASDVLYIZAKPAJL-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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Related Compounds

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-4-propan-2-ylbenzenesulfonamide
CID 5105845
(E)-3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 6245900
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 2105725
4-Methyl-3-(morpholine-4-sulfonyl)aniline
CID 570632
2-Methyl-5-(morpholine-4-sulfonyl)aniline
CID 3769949
N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzenesulfonamide
CID 5205913
2,4,6-Trimethyl-N-[3-(4-morpholinylsulfonyl)phenyl]benzenesulfonamide
CID 6471056
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-4-methylbenzenesulfonamide
CID 3626119
3-chloro-2,4,6-trifluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 3961235
2-fluoro-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 5183850
4-Fluoro-3-(4-morpholinylsulfonyl)benzenamine
CID 3868145
3,4-difluoro-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 4626413

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide (CID 55353367) is N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide is Cc1cccc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1.
What is the InChIKey of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide?
The InChIKey is ASDVLYIZAKPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O5S2/c1-13-3-2-4-15(11-13)26(21,22)19-14-5-6-16(18)17(12-14)27(23,24)20-7-9-25-10-8-20/h2-6,11-12,19H,7-10H2,1H3.
What are the key properties of N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbenzenesulfonamide?
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-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)-3-methylbenzenesulfonamide is sourced from PubChem (CID 55353367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).