N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide

C17H18F3N3O4S — CID 35390128

IUPACN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1N1CCOCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O4S/c18-17(19,20)27-14-4-1-5-15(11-14)28(24,25)22-12-13-3-2-6-21-16(13)23-7-9-26-10-8-23/h1-6,11,22H,7-10,12H2
InChIKeyRCQVXKRWZUNONO-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.30
Rot. Bonds6

About N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide

N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 35390128) has the molecular formula C17H18F3N3O4S and a molecular weight of 417.41 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID35390128
Molecular FormulaC17H18F3N3O4S
Molecular Weight417.41 g/mol
Exact Mass417.10
IUPAC NameN-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cccnc1N1CCOCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C17H18F3N3O4S/c18-17(19,20)27-14-4-1-5-15(11-14)28(24,25)22-12-13-3-2-6-21-16(13)23-7-9-26-10-8-23/h1-6,11,22H,7-10,12H2
InChIKeyRCQVXKRWZUNONO-UHFFFAOYSA-N
XLogP2.30
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55663598
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 35390284
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2,4-dioxo-1H-quinazoline-6-sulfonamide
CID 55598485
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 55642240
N-ethyl-3-(trifluoromethoxy)benzenesulfonamide
CID 43243258
(E)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 39568621
N-[[3-(trifluoromethoxy)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridine-5-sulfonamide
CID 158913042
N-(3-phenylpropyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31687969
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-(3-phenoxyphenyl)methanamine;hydrochloride
CID 47030657
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 32587077
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)-3-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 120721583
N-[2-(methylamino)ethyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 62659680

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide (CID 35390128) is N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1cccnc1N1CCOCC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is RCQVXKRWZUNONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O4S/c18-17(19,20)27-14-4-1-5-15(11-14)28(24,25)22-12-13-3-2-6-21-16(13)23-7-9-26-10-8-23/h1-6,11,22H,7-10,12H2.
What are the key properties of N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide?
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 417.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 35390128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).