1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide

C11H14FN3O3S — CID 151640390

IUPAC1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide
SMILESCC1CCC(C(N)=O)N1S(=O)(=O)c1ccc(F)cn1
InChIInChI=1S/C11H14FN3O3S/c1-7-2-4-9(11(13)16)15(7)19(17,18)10-5-3-8(12)6-14-10/h3,5-7,9H,2,4H2,1H3,(H2,13,16)
InChIKeyQSJZMLFGYDKIOQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.25
Rot. Bonds3

About 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide

1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide (PubChem CID 151640390) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide
PubChem CID151640390
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide
SMILESCC1CCC(C(N)=O)N1S(=O)(=O)c1ccc(F)cn1
InChIInChI=1S/C11H14FN3O3S/c1-7-2-4-9(11(13)16)15(7)19(17,18)10-5-3-8(12)6-14-10/h3,5-7,9H,2,4H2,1H3,(H2,13,16)
InChIKeyQSJZMLFGYDKIOQ-UHFFFAOYSA-N
XLogP0.25
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
CID 16822440
N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]pyridine-3-sulfonamide
CID 16822445
(2S)-N-[(5-methyl-2-pyridinyl)sulfonyl]pyrrolidine-2-carboxamide
CID 49841852
N-(2,4-difluorophenyl)-1-(pyridine-3-sulfonyl)pyrrolidine-2-carboxamide
CID 60159472
2-[Cyclopentyl(pyridin-3-ylsulfonyl)amino]acetamide
CID 60548903
N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]pyridine-3-sulfonamide
CID 129622127
1-[Methyl(pyridin-3-ylsulfonyl)amino]cyclopentane-1-carboxamide
CID 132374447
(2S)-N-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxamide
CID 164629401
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 18150758
1-(4-fluorophenyl)sulfonyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 18150760
1-(4-fluorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 47006942
(2S)-2-amino-4-fluoro-4-methyl-N-(3-oxo-1-pyridin-2-ylsulfonylazepan-4-yl)pentanamide
CID 68942369

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide (CID 151640390) is 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide is CC1CCC(C(N)=O)N1S(=O)(=O)c1ccc(F)cn1.
What is the InChIKey of 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide?
The InChIKey is QSJZMLFGYDKIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c1-7-2-4-9(11(13)16)15(7)19(17,18)10-5-3-8(12)6-14-10/h3,5-7,9H,2,4H2,1H3,(H2,13,16).
What are the key properties of 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide?
1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-pyridinyl)sulfonyl]-5-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 151640390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).