N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide

C21H19F3N2O3S — CID 2472272

IUPACN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19F3N2O3S/c22-21(23,24)17-6-8-20(26-9-11-29-12-10-26)19(14-17)25-30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,25H,9-12H2
InChIKeyQDAXZZLSRFOLBE-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.50
Rot. Bonds4

About N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide

N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide (PubChem CID 2472272) has the molecular formula C21H19F3N2O3S and a molecular weight of 436.46 g/mol. Its IUPAC name is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
PubChem CID2472272
Molecular FormulaC21H19F3N2O3S
Molecular Weight436.46 g/mol
Exact Mass436.11
IUPAC NameN-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19F3N2O3S/c22-21(23,24)17-6-8-20(26-9-11-29-12-10-26)19(14-17)25-30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,25H,9-12H2
InChIKeyQDAXZZLSRFOLBE-UHFFFAOYSA-N
XLogP4.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(2-morpholinophenyl)benzenesulfonamide
CID 2813423
N-(2-morpholin-4-ylphenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 4794707
N-(3-(4-phenylpiperazin-1-yl)propyl)naphthalene-2-sulfonamide
CID 42389129
Naphthalene-2-sulfonic acid {3-[4-(3-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-amide
CID 42635204
Naphthalene-2-sulfonic acid {3-[4-(4-trifluoromethylphenyl)-piperazin-1-yl]-propyl}-amide
CID 42635205
N-[4-(4-morpholinyl)phenyl]-2-naphthalenesulfonamide
CID 1921979
2,4-dimethyl-N-[2-(morpholin-4-yl)-5-(trifluoromethyl)phenyl]benzene-1-sulfonamide
CID 2078255
4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2089202
N-[2-hydroxy-3-(morpholin-4-yl)propyl]-N-(4-methylphenyl)naphthalene-2-sulfonamide
CID 2884920
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3,4-dimethylbenzenesulfonamide
CID 4024925
N-(2-(4-(dimethylamino)phenyl)-2-morpholinoethyl)naphthalene-2-sulfonamide
CID 16812485
1-(3,4-dimethylphenyl)sulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 24687978

Frequently Asked Questions

What is the IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide?
The IUPAC name of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide (CID 2472272) is N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc2ccccc2c1.
What is the InChIKey of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide?
The InChIKey is QDAXZZLSRFOLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N2O3S/c22-21(23,24)17-6-8-20(26-9-11-29-12-10-26)19(14-17)25-30(27,28)18-7-5-15-3-1-2-4-16(15)13-18/h1-8,13-14,25H,9-12H2.
What are the key properties of N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide?
N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide has a molecular weight of 436.46 g/mol, XLogP of 4.50, 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-yl-5-(trifluoromethyl)phenyl]naphthalene-2-sulfonamide is sourced from PubChem (CID 2472272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).