N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide

C11H13F3N2O4S — CID 4998109

IUPACN-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O4S/c12-11(13,14)20-9-1-3-10(4-2-9)21(17,18)15-16-5-7-19-8-6-16/h1-4,15H,5-8H2
InChIKeyDHNRLHWVMFCOHK-UHFFFAOYSA-N
MW326.30 g/mol
LogP1.11
Rot. Bonds4

About N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide

N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 4998109) has the molecular formula C11H13F3N2O4S and a molecular weight of 326.30 g/mol. Its IUPAC name is N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID4998109
Molecular FormulaC11H13F3N2O4S
Molecular Weight326.30 g/mol
Exact Mass326.05
IUPAC NameN-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O4S/c12-11(13,14)20-9-1-3-10(4-2-9)21(17,18)15-16-5-7-19-8-6-16/h1-4,15H,5-8H2
InChIKeyDHNRLHWVMFCOHK-UHFFFAOYSA-N
XLogP1.11
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682519
N-[(1-morpholin-4-ylcyclobutyl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 139029418
N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 42888442
4-[hydroxy(oxido)amino]-N-morpholin-4-ylbenzenesulfonamide
CID 21139487
4-(trifluoromethoxy)benzenesulfonohydrazide
CID 2744727
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
CID 118314272
3,4-dimethyl-N-morpholin-4-ylbenzenesulfonamide
CID 19682522
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603
6-chloro-N-morpholin-4-ylpyridine-3-sulfonamide
CID 83014235
4-(3-aminoprop-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83023580
N-[5-(2-morpholin-4-yl-2-oxoethyl)-1,3,4-thiadiazol-2-yl]-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11455323
2-(morpholin-4-ylsulfamoyl)-5-sulfamoylbenzenesulfonic acid
CID 173310746

Frequently Asked Questions

What is the IUPAC name of N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide (CID 4998109) is N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NN1CCOCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DHNRLHWVMFCOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4S/c12-11(13,14)20-9-1-3-10(4-2-9)21(17,18)15-16-5-7-19-8-6-16/h1-4,15H,5-8H2.
What are the key properties of N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide?
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 326.30 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 4998109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).