1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide

C17H18F3N3O2S — CID 121142963

IUPAC1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H18F3N3O2S/c18-17(19,20)14-6-7-16(21-10-14)23-9-8-15(11-23)22-26(24,25)12-13-4-2-1-3-5-13/h1-7,10,15,22H,8-9,11-12H2
InChIKeyDFFNBTYBHKJRAF-UHFFFAOYSA-N
MW385.41 g/mol
LogP2.80
Rot. Bonds5

About 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide

1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide (PubChem CID 121142963) has the molecular formula C17H18F3N3O2S and a molecular weight of 385.41 g/mol. Its IUPAC name is 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
PubChem CID121142963
Molecular FormulaC17H18F3N3O2S
Molecular Weight385.41 g/mol
Exact Mass385.11
IUPAC Name1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H18F3N3O2S/c18-17(19,20)14-6-7-16(21-10-14)23-9-8-15(11-23)22-26(24,25)12-13-4-2-1-3-5-13/h1-7,10,15,22H,8-9,11-12H2
InChIKeyDFFNBTYBHKJRAF-UHFFFAOYSA-N
XLogP2.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142917
N-benzyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
CID 119111040
3-chloro-2-methyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 99874881
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833
2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142903
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907
benzyl N-[2-oxo-2-[[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]ethyl]carbamate
CID 99874839
1-(4-tert-butylphenyl)-N-[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanesulfonamide
CID 159350919
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849
1-(3-methylphenyl)-N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]methanesulfonamide
CID 99819249
2-chloro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142758
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide (CID 121142963) is 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NC1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
The InChIKey is DFFNBTYBHKJRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2S/c18-17(19,20)14-6-7-16(21-10-14)23-9-8-15(11-23)22-26(24,25)12-13-4-2-1-3-5-13/h1-7,10,15,22H,8-9,11-12H2.
What are the key properties of 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide?
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 121142963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).