2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide

C16H18FN3O2S — CID 99822478

IUPAC2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
SMILESCc1cccc(F)c1S(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C16H18FN3O2S/c1-12-5-4-6-14(17)16(12)23(21,22)19-13-8-10-20(11-13)15-7-2-3-9-18-15/h2-7,9,13,19H,8,10-11H2,1H3/t13-/m1/s1
InChIKeyGEQYHCDETJMGMV-CYBMUJFWSA-N
MW335.40 g/mol
LogP2.09
Rot. Bonds4

About 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide

2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide (PubChem CID 99822478) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
PubChem CID99822478
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC Name2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide
SMILESCc1cccc(F)c1S(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1
InChIInChI=1S/C16H18FN3O2S/c1-12-5-4-6-14(17)16(12)23(21,22)19-13-8-10-20(11-13)15-7-2-3-9-18-15/h2-7,9,13,19H,8,10-11H2,1H3/t13-/m1/s1
InChIKeyGEQYHCDETJMGMV-CYBMUJFWSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
4-chloro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621517
2,4,6-tri(propan-2-yl)-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 121145097
3-fluoro-4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621475
2,6-difluoro-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzenesulfonamide
CID 121142917
N-(1-pyridin-2-ylpyrrolidin-3-yl)cyclopropanesulfonamide
CID 90621445
4-propan-2-yl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621471
4-methoxy-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621518
N-(1-pyridin-2-ylpyrrolidin-3-yl)naphthalene-2-sulfonamide
CID 90621515
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide (CID 99822478) is 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide is Cc1cccc(F)c1S(=O)(=O)N[C@@H]1CCN(c2ccccn2)C1.
What is the InChIKey of 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is GEQYHCDETJMGMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-12-5-4-6-14(17)16(12)23(21,22)19-13-8-10-20(11-13)15-7-2-3-9-18-15/h2-7,9,13,19H,8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide?
2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 335.40 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 99822478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).