6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide

C17H20FN3O2S — CID 97221231

IUPAC6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C17H20FN3O2S/c1-20(2)24(22,23)15-9-10-17(19-12-15)21-11-3-4-16(21)13-5-7-14(18)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3/t16-/m0/s1
InChIKeySEXIJUQQLNVLEL-INIZCTEOSA-N
MW349.43 g/mol
LogP2.81
Rot. Bonds4

About 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide

6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide (PubChem CID 97221231) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
PubChem CID97221231
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(F)cc2)nc1
InChIInChI=1S/C17H20FN3O2S/c1-20(2)24(22,23)15-9-10-17(19-12-15)21-11-3-4-16(21)13-5-7-14(18)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3/t16-/m0/s1
InChIKeySEXIJUQQLNVLEL-INIZCTEOSA-N
XLogP2.81
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[2-(3-aminopropyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341466
5-fluoro-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]pyridine
CID 100759611
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059850
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-5-piperidin-1-ylsulfonylpyridine
CID 133281033
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 26441291
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
4-[5-(dimethylsulfamoyl)-2-pyridinyl]thiomorpholine-3-carboxylic acid
CID 103340906
N-ethyl-6-[(2R,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-phenylpyridine-3-sulfonamide
CID 97244837
6-(4-chloro-3-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341441
6-(3-chloro-4-methylpiperidin-1-yl)-N,N-dimethylpyridine-3-sulfonamide
CID 103341456
6-[3-(hydroxymethyl)morpholin-4-yl]-N,N-dimethylpyridine-3-sulfonamide
CID 103341245
6-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-N-pentan-3-ylpyridine-3-sulfonamide
CID 55816702

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
The IUPAC name of 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide (CID 97221231) is 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide.
What is the SMILES notation for 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
The canonical SMILES for 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide is CN(C)S(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc(F)cc2)nc1.
What is the InChIKey of 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
The InChIKey is SEXIJUQQLNVLEL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-20(2)24(22,23)15-9-10-17(19-12-15)21-11-3-4-16(21)13-5-7-14(18)8-6-13/h5-10,12,16H,3-4,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide?
6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide has a molecular weight of 349.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-sulfonamide is sourced from PubChem (CID 97221231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).