N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide

C17H17F3N2O3S — CID 4794707

IUPACN-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-5-1-4-8-16(13)26(23,24)21-14-6-2-3-7-15(14)22-9-11-25-12-10-22/h1-8,21H,9-12H2
InChIKeyKOCBZYQKKWKXBR-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.34
Rot. Bonds4

About N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 4794707) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID4794707
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1N1CCOCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H17F3N2O3S/c18-17(19,20)13-5-1-4-8-16(13)26(23,24)21-14-6-2-3-7-15(14)22-9-11-25-12-10-22/h1-8,21H,9-12H2
InChIKeyKOCBZYQKKWKXBR-UHFFFAOYSA-N
XLogP3.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethyl-5-[(2-morpholin-4-ylphenyl)sulfamoyl]benzoic acid
CID 4806596
3,5-difluoro-N-(2-morpholin-4-ylphenyl)benzenesulfonamide
CID 17442409
4-[2-(sulfamoylamino)phenyl]morpholine
CID 112573552
sodium N-(2-morpholin-4-ylphenyl)sulfamate
CID 174221479
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-(2-morpholin-4-ylphenyl)thiophene-2-sulfonamide
CID 2813508
3-[(2-methylphenyl)sulfonylamino]-4-morpholin-4-ylbenzoic acid
CID 50767039
2-(trifluoromethyl)-N-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]naphthalen-1-yl]benzenesulfonamide
CID 172801513
N-(2-morpholin-4-ylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 2444334
2-morpholin-4-yl-6-(trifluoromethyl)aniline
CID 131862502
2-[[2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 12017862
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 55938474

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 4794707) is N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is KOCBZYQKKWKXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c18-17(19,20)13-5-1-4-8-16(13)26(23,24)21-14-6-2-3-7-15(14)22-9-11-25-12-10-22/h1-8,21H,9-12H2.
What are the key properties of N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 386.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 4794707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).