N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide

C19H18F3N3O4S — CID 156609929

IUPACN-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CC2CC1CC2NS(=O)(=O)c1cccnc1
InChIInChI=1S/C19H18F3N3O4S/c20-19(21,22)29-15-5-3-12(4-6-15)18(26)25-11-13-8-14(25)9-17(13)24-30(27,28)16-2-1-7-23-10-16/h1-7,10,13-14,17,24H,8-9,11H2
InChIKeyBUOWKUHDDWDJIN-UHFFFAOYSA-N
MW441.43 g/mol
LogP2.56
Rot. Bonds5

About N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide

N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide (PubChem CID 156609929) has the molecular formula C19H18F3N3O4S and a molecular weight of 441.43 g/mol. Its IUPAC name is N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide
PubChem CID156609929
Molecular FormulaC19H18F3N3O4S
Molecular Weight441.43 g/mol
Exact Mass441.10
IUPAC NameN-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CC2CC1CC2NS(=O)(=O)c1cccnc1
InChIInChI=1S/C19H18F3N3O4S/c20-19(21,22)29-15-5-3-12(4-6-15)18(26)25-11-13-8-14(25)9-17(13)24-30(27,28)16-2-1-7-23-10-16/h1-7,10,13-14,17,24H,8-9,11H2
InChIKeyBUOWKUHDDWDJIN-UHFFFAOYSA-N
XLogP2.56
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,4S,5S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 87052876
N-[2-(3-fluoro-4-methylbenzoyl)-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-sulfonamide
CID 156602000
N-[2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-carboxamide
CID 156601654
N-[(1S,4S,5S)-2-(5-methylthiophene-2-carbonyl)-2-azabicyclo[2.2.1]heptan-5-yl]benzenesulfonamide
CID 87052873
N-[(1S,4S,5S)-2-(3,5-dimethoxybenzoyl)-2-azabicyclo[2.2.1]heptan-5-yl]thiophene-2-sulfonamide
CID 87052937
pyridin-4-yl-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4875578
N-[(1R,4R,6S)-2-[3-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-6-yl]pyridine-3-carboxamide
CID 87052683
[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-(4-pyridin-3-yloxyphenyl)methanone
CID 128988547
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 106671585
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
pyridin-3-yl(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270184
5-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 156602241

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide?
The IUPAC name of N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide (CID 156609929) is N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide is O=C(c1ccc(OC(F)(F)F)cc1)N1CC2CC1CC2NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide?
The InChIKey is BUOWKUHDDWDJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O4S/c20-19(21,22)29-15-5-3-12(4-6-15)18(26)25-11-13-8-14(25)9-17(13)24-30(27,28)16-2-1-7-23-10-16/h1-7,10,13-14,17,24H,8-9,11H2.
What are the key properties of N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide?
N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide has a molecular weight of 441.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(trifluoromethoxy)benzoyl]-2-azabicyclo[2.2.1]heptan-5-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 156609929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).