N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

C17H16F3N3O3S — CID 71849401

IUPACN-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccn1)N1CCC(NS(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)13-5-1-2-7-15(13)27(25,26)22-12-8-10-23(11-12)16(24)14-6-3-4-9-21-14/h1-7,9,12,22H,8,10-11H2
InChIKeyAMUSGOJCYNEEIU-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.29
Rot. Bonds4

About N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 71849401) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID71849401
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC NameN-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=C(c1ccccn1)N1CCC(NS(=O)(=O)c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C17H16F3N3O3S/c18-17(19,20)13-5-1-2-7-15(13)27(25,26)22-12-8-10-23(11-12)16(24)14-6-3-4-9-21-14/h1-7,9,12,22H,8,10-11H2
InChIKeyAMUSGOJCYNEEIU-UHFFFAOYSA-N
XLogP2.29
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-{[(2,5-dimethylphenyl)sulfonyl]amino}-N-(2-pyridinylmethyl)propanamide
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CID 6498635
N-[1-(1-Isonicotinoyl-L-prolyl)piperidin-4-yl]-5-(phenylsulfonyl)-2-(trifluoromethyl)benzenesulfonamide
CID 25187401
N-(((S)-1-((R)-3-amino-4-(2-fluorophenyl)butanoyl)pyrrolidin-2-yl)methyl)picolinamide
CID 45268222
5-(Phenylsulfonyl)-N-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzenesulfonamide
CID 46229365
N-[1-(3-methylphenyl)sulfonylpyrrol-3-yl]pyridine-2-carboxamide
CID 52913659
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CID 52913660

Frequently Asked Questions

What is the IUPAC name of N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 71849401) is N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is O=C(c1ccccn1)N1CCC(NS(=O)(=O)c2ccccc2C(F)(F)F)C1.
What is the InChIKey of N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AMUSGOJCYNEEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c18-17(19,20)13-5-1-2-7-15(13)27(25,26)22-12-8-10-23(11-12)16(24)14-6-3-4-9-21-14/h1-7,9,12,22H,8,10-11H2.
What are the key properties of N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 399.39 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71849401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).