2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide

C16H14F5N3O2S — CID 121142917

IUPAC2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1c(F)cccc1F
InChIInChI=1S/C16H14F5N3O2S/c17-12-2-1-3-13(18)15(12)27(25,26)23-11-6-7-24(9-11)14-5-4-10(8-22-14)16(19,20)21/h1-5,8,11,23H,6-7,9H2
InChIKeyRPDYVOKQIGZXFI-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.94
Rot. Bonds4

About 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide

2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 121142917) has the molecular formula C16H14F5N3O2S and a molecular weight of 407.36 g/mol. Its IUPAC name is 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID121142917
Molecular FormulaC16H14F5N3O2S
Molecular Weight407.36 g/mol
Exact Mass407.07
IUPAC Name2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1c(F)cccc1F
InChIInChI=1S/C16H14F5N3O2S/c17-12-2-1-3-13(18)15(12)27(25,26)23-11-6-7-24(9-11)14-5-4-10(8-22-14)16(19,20)21/h1-5,8,11,23H,6-7,9H2
InChIKeyRPDYVOKQIGZXFI-UHFFFAOYSA-N
XLogP2.94
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-methyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 99874881
3-methoxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142907
1-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanesulfonamide
CID 121142963
2,4-dimethyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142903
2-fluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142573
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
CID 99822478
3-[(2-fluorophenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 121142673
2,2-dimethyl-N-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]propanamide
CID 124760927
1-benzhydryl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874849
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
2-[(3-methylphenyl)sulfonylamino]-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142678
4-phenyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142833

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide (CID 121142917) is 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CCN(c2ccc(C(F)(F)F)cn2)C1)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is RPDYVOKQIGZXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F5N3O2S/c17-12-2-1-3-13(18)15(12)27(25,26)23-11-6-7-24(9-11)14-5-4-10(8-22-14)16(19,20)21/h1-5,8,11,23H,6-7,9H2.
What are the key properties of 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide?
2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 407.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 121142917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).